1,2,3,4-Tetraphenylcyclopenta-1,3-diene (CED0043896)

Record Information

Version

1.0

Creation Date

2026-04-03 15:16:34 UTC

Update Date

2026-04-03 15:16:34 UTC

SynCED ID

CED0043896

Secondary Accession Numbers

CHEM065332

Identification

Common Name

1,2,3,4-Tetraphenylcyclopenta-1,3-diene

Class

Small Molecule

Description

1,2,3,4-Tetraphenylcyclopenta-1,3-diene is an organic compound with the chemical formula C29H22 and an average molecular weight of 370.50 g/mol. 1,2,3,4-Tetraphenylcyclopenta-1,3-diene belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This substance has been identified in or released from three recorded sources: discharge lamps, loudspeakers, and still video cameras, all of which are categorized as electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₂₂

Average Molecular Mass

370.495 g/mol

Monoisotopic Mass

370.172 g/mol

CAS Registry Number

15570-45-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2

InChI Key

JCXLYAWYOTYWKM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
760.0 Log mg/kg [430:1400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge 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 Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000526	Loudspeakers?Loudspeakers, as components in audio systems, can be sources of synthetic chemical contamination primarily due to the materials used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000534	Still Video Cameras?Still video cameras, which capture images in digital format, can be a source of synthetic chemical contamination due to the materials and components used in their production and operation.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.292 Low confidence Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.361 Statistical Significance 0.0223 Supporting Reference Compounds 136 E-value 173.448
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.361 Statistical Significance 0.0432 Supporting Reference Compounds 201 E-value 336.464
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.296 Low confidence Statistical Significance 0.1418 Supporting Reference Compounds 472 E-value 1103.59
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.361 Statistical Significance 0.0119 Supporting Reference Compounds 50 E-value 92.7184
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.3648 Supporting Reference Compounds 825 E-value 2840.17
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0294 Supporting Reference Compounds 150 E-value 229.188
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.267 Low confidence Statistical Significance 0.5638 Supporting Reference Compounds 1538 E-value 4389.29
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.25 Low confidence Statistical Significance 0.0953 Supporting Reference Compounds 241 E-value 741.981
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.296 Low confidence Statistical Significance 0.153 Supporting Reference Compounds 407 E-value 1191.17
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.25 Low confidence Statistical Significance 0.1493 Supporting Reference Compounds 315 E-value 1161.98
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.273 Low confidence Statistical Significance 0.0671 Supporting Reference Compounds 193 E-value 522.213
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.25 Low confidence Statistical Significance 0.0091 Supporting Reference Compounds 68 E-value 70.9985
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.25 Low confidence Statistical Significance 0.5917 Supporting Reference Compounds 1245 E-value 4606.1
Click to view 3D structure	Tumor necrosis factor ligand superfamily member 10	P50591	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.3 Statistical Significance 9.50e-04 Supporting Reference Compounds 2 E-value 7.39568
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.267 Low confidence Statistical Significance 0.0311 Supporting Reference Compounds 108 E-value 242.189
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.27 Low confidence Statistical Significance 0.3821 Supporting Reference Compounds 742 E-value 2974.39
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.25 Low confidence Statistical Significance 0.1532 Supporting Reference Compounds 229 E-value 1192.49
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.273 Low confidence Statistical Significance 0.1664 Supporting Reference Compounds 332 E-value 1295.1
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.286 Low confidence Statistical Significance 0.5329 Supporting Reference Compounds 1157 E-value 4148.74
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.273 Low confidence Statistical Significance 0.1962 Supporting Reference Compounds 372 E-value 1527.48
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.5097 Supporting Reference Compounds 793 E-value 3967.66
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.25 Low confidence Statistical Significance 0.4408 Supporting Reference Compounds 735 E-value 3431.36
Click to view 3D structure	Nischarin	Q9Y2I1	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.3 Statistical Significance 0.0057 Supporting Reference Compounds 37 E-value 44.1405
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.25 Low confidence Statistical Significance 0.6576 Supporting Reference Compounds 1130 E-value 5119.13