Triphenylene | SBID = 666 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.9 | ||
| 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: | 175.1 | ||
| Sum Formula: | C18H12 | ||
| M / g/mol: | 228.3 | ||
| Complexity: | 217.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Triphenylene
- Preferred Abbreviation: Triphenylene
- IUPAC Name: triphenylene
- CAS: 217-59-4
- CID: 9170
- InChiKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
- InChi: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
- CanoSmiles: C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24
- IsoSmiles: C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24
