Tetraphene | SBID = 662 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 5.8 | ||
| 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: | 173.1 | ||
| Sum Formula: | C18H12 | ||
| M / g/mol: | 228.3 | ||
| Complexity: | 294.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Tetraphene
- Preferred Abbreviation: Tetraphene
- IUPAC Name: benzo[a]anthracene
- CAS: 56-55-3
- CID: 5954
- InChiKey: DXBHBZVCASKNBY-UHFFFAOYSA-N
- InChi: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
- CanoSmiles: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
- IsoSmiles: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
