Benzo[c]phenanthrene | SBID = 665 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 5.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 175.0 | ||
| Sum Formula: | C18H12 | ||
| M / g/mol: | 228.3 | ||
| Complexity: | 266.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Benzo[c]phenanthrene
- Preferred Abbreviation: Tetrahelicene
- IUPAC Name: benzo[c]phenanthrene
- CAS: 195-19-7
- CID: 9136
- InChiKey: TUAHORSUHVUKBD-UHFFFAOYSA-N
- InChi: InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
- CanoSmiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
- IsoSmiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
