Ethynylenebis[diphenylphosphine] (CED0170304)

Record Information

Version

1.0

Creation Date

2026-04-04 20:47:30 UTC

Update Date

2026-08-22 05:57:06 UTC

SynCED ID

CED0170304

Secondary Accession Numbers

CHEM081606

Identification

Common Name

Ethynylenebis[diphenylphosphine]

Class

Small Molecule

Description

Ethynylenebis[diphenylphosphine] is an organic compound with the formula C26H20P2 and an average molecular weight of 394.39 g/mol. Ethynylenebis[diphenylphosphine] belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This substance has been identified in or released from one recorded source: Electrical & Electronic Equipment (Thin Magnetic Films).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₂₀P₂

Average Molecular Mass

394.394 g/mol

Monoisotopic Mass

394.104 g/mol

CAS Registry Number

5112-95-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC=C(C=C1)P(C#CP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H

InChI Key

FOWZHJNBFVLJGP-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
1094.0 Log mg/kg [620:1900]	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
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
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	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 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 2.10e-04 Supporting Reference Compounds 1 E-value 1.63483
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.3 Statistical Significance 0.1339 Supporting Reference Compounds 472 E-value 1042.17
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.3 Statistical Significance 0.0652 Supporting Reference Compounds 193 E-value 507.966
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.3 Statistical Significance 0.1503 Supporting Reference Compounds 332 E-value 1170.39
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.2013 Supporting Reference Compounds 407 E-value 1567.34
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.261 Low confidence Statistical Significance 0.0134 Supporting Reference Compounds 68 E-value 104.629
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.273 Low confidence Statistical Significance 0.0132 Supporting Reference Compounds 47 E-value 103.15
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.261 Low confidence Statistical Significance 0.0611 Supporting Reference Compounds 108 E-value 475.659
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.261 Low confidence Statistical Significance 0.6354 Supporting Reference Compounds 825 E-value 4946.54
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.24 Low confidence Statistical Significance 0.0719 Supporting Reference Compounds 63 E-value 559.58
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.261 Low confidence Statistical Significance 0.7682 Supporting Reference Compounds 1130 E-value 5980.38
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.3 Statistical Significance 0.2983 Supporting Reference Compounds 372 E-value 2321.93
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.222 Low confidence Statistical Significance 0.2431 Supporting Reference Compounds 241 E-value 1892.2
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.25 Low confidence Statistical Significance 0.0565 Supporting Reference Compounds 70 E-value 440.159
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.261 Low confidence Statistical Significance 0.1291 Supporting Reference Compounds 151 E-value 1005.42
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.222 Low confidence Statistical Significance 0.3242 Supporting Reference Compounds 315 E-value 2523.95
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.273 Low confidence Statistical Significance 0.436 Supporting Reference Compounds 451 E-value 3394.23
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.273 Low confidence Statistical Significance 0.2625 Supporting Reference Compounds 201 E-value 2043.62
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.261 Low confidence Statistical Significance 0.0221 Supporting Reference Compounds 40 E-value 172.202
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.261 Low confidence Statistical Significance 0.0454 Supporting Reference Compounds 55 E-value 353.358
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.261 Low confidence Statistical Significance 0.8843 Supporting Reference Compounds 1538 E-value 6884.44
Click to view 3D structure	Cytochrome P450 2A5	P20852	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.261 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 11 E-value 42.6614
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.261 Low confidence Statistical Significance 0.2765 Supporting Reference Compounds 242 E-value 2152.76
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.261 Low confidence Statistical Significance 0.7934 Supporting Reference Compounds 793 E-value 6176.87
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.273 Low confidence Statistical Significance 0.6917 Supporting Reference Compounds 686 E-value 5384.99