Bibenzene Details
:
IUPAC Name
Biphenyl
:Chemical Class
:CAS Registry Number
92-52-4
:Description
:Fragrance Type
rose aroma
Physical and Chemical properties
| PUBCHEM ID | 7095 |
| Molecular Weight (g/mol) | 154.212 |
| Molecular Formula | C12H10 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| IUPAC Name | Biphenyl |
| Canonical SMILES | c2ccc(c1ccccc1)cc2 |
| PUBCHEM IUPAC INCHIKEY | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 0 |
| BBB Level | 0 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.348 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 1.38406 |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 92-52-4 | CYP1A2 | Homo sapiens | diphenyl results in decreased activity of CYP1A2 protein | decreases^activity | 15916432 |
| 2 | 92-52-4 | CYP1B1 | Homo sapiens | diphenyl binds to and results in decreased activity of CYP1B1 protein | affects^binding|decreases^activity | 19563207 |
| 3 | 92-52-4 | CYP2A13 | Homo sapiens | diphenyl binds to CYP2A13 protein | affects^binding | 27137136 |
| 4 | 92-52-4 | ESR1 | Homo sapiens | diphenyl results in decreased activity of ESR1 protein | decreases^activity | 22562034 |
| 5 | 92-52-4 | CYP1A2 | Homo sapiens | diphenyl results in decreased activity of CYP1A2 protein | decreases^activity | 15916432 |
| 6 | 92-52-4 | CYP1B1 | Homo sapiens | diphenyl binds to and results in decreased activity of CYP1B1 protein | affects^binding|decreases^activity | 19563207 |
| 7 | 92-52-4 | CYP2A13 | Homo sapiens | diphenyl binds to CYP2A13 protein | affects^binding | 27137136 |
| 8 | 92-52-4 | ESR1 | Homo sapiens | diphenyl results in decreased activity of ESR1 protein | decreases^activity | 22562034 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 92-52-4 | Bibenzene |
Compound Image
2D Structure
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