Perylene | SBID = 667 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| 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: | 184.7 | ||
| Sum Formula: | C20H12 | ||
| M / g/mol: | 252.3 | ||
| Complexity: | 304.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: dye
- Name: Perylene
- Preferred Abbreviation: Perylene
- IUPAC Name: perylene
- CAS: 198-55-0
- CID: 9142
- InChiKey: CSHWQDPOILHKBI-UHFFFAOYSA-N
- InChi: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
- CanoSmiles: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
- IsoSmiles: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
