2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol (CED0305888)

Record Information
Version1.0
Creation Date2026-09-01 00:22:57 UTC
Update Date2026-09-01 00:22:57 UTC
SynCED IDCED0305888
Secondary Accession Numbers
  • CHEM351530
Identification
Common Name2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol
ClassSmall Molecule
Description
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol is a chemical compound with the formula C41H39N3O2. With an average molecular weight of 605.80 g/mol, 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol is a heavy molecule. This substance has been identified in or released from one recorded source: electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC41H39N3O2
Average Molecular MassNot Available
Monoisotopic Mass605.304 g/mol
CAS Registry Number204583-39-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6)O
InChI IdentifierInChI=1S/C41H39N3O2/c1-3-5-12-29(4-2)28-46-36-25-26-37(38(45)27-36)41-43-39(34-21-17-32(18-22-34)30-13-8-6-9-14-30)42-40(44-41)35-23-19-33(20-24-35)31-15-10-7-11-16-31/h6-11,13-27,29,45H,3-5,12,28H2,1-2H3
InChI KeyZBUFTVMOMCQOFV-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2387.0 Log mg/kg [1300:4200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.31
Statistical Significance
0.0757
Supporting Reference Compounds
825
E-value
589.319
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.314
Statistical Significance
0.0142
Supporting Reference Compounds
182
E-value
110.468
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.31
Statistical Significance
0.0882
Supporting Reference Compounds
793
E-value
686.708
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.31
Statistical Significance
0.0112
Supporting Reference Compounds
127
E-value
87.5025
Prostaglandin E synthase structureClick to view 3D structureProstaglandin E synthaseO14684HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.308
Statistical Significance
0.0047
Supporting Reference Compounds
69
E-value
36.667
Click to view 3D structure15-cis-phytoene desaturaseP26294Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2)Predicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.282 Low confidence
Statistical Significance
0.004
Supporting Reference Compounds
1
E-value
31.5289
Beta-glucuronidase structureClick to view 3D structureBeta-glucuronidaseP08236HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.339
Statistical Significance
0.0012
Supporting Reference Compounds
12
E-value
9.73115
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.308
Statistical Significance
0.0328
Supporting Reference Compounds
192
E-value
255.268
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.309
Statistical Significance
0.233
Supporting Reference Compounds
1245
E-value
1814.12
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0146
Supporting Reference Compounds
106
E-value
113.426
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.292 Low confidence
Statistical Significance
0.1191
Supporting Reference Compounds
414
E-value
927.262
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.288 Low confidence
Statistical Significance
0.2051
Supporting Reference Compounds
927
E-value
1596.61
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.288 Low confidence
Statistical Significance
0.223
Supporting Reference Compounds
1158
E-value
1736.35
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.288 Low confidence
Statistical Significance
0.199
Supporting Reference Compounds
834
E-value
1549.43
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
0.0086
Supporting Reference Compounds
1
E-value
67.3396
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.293 Low confidence
Statistical Significance
0.3525
Supporting Reference Compounds
1538
E-value
2744.5
Serine/threonine-protein kinase Chk2 structureClick to view 3D structureSerine/threonine-protein kinase Chk2O96017HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.288 Low confidence
Statistical Significance
0.143
Supporting Reference Compounds
537
E-value
1113.32
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.19
Supporting Reference Compounds
797
E-value
1479.21
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.291 Low confidence
Statistical Significance
0.0296
Supporting Reference Compounds
114
E-value
230.512
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.1851
Supporting Reference Compounds
735
E-value
1440.68
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.221
Supporting Reference Compounds
967
E-value
1720.31
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.199
Supporting Reference Compounds
754
E-value
1549.28
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.1972
Supporting Reference Compounds
807
E-value
1535.58
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.2252
Supporting Reference Compounds
1029
E-value
1753.09
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.288 Low confidence
Statistical Significance
0.164
Supporting Reference Compounds
681
E-value
1276.65
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available