hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene | SBID = 2747 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 6.0 | ||
| Hydrophilicity (Cheng XLogP3): | 6.39 | ||
| 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: | 186.6 | ||
| Sum Formula: | C20H10 | ||
| M / g/mol: | 250.3 | ||
| Complexity: | 303.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
- Preferred Abbreviation: Corannulene
- IUPAC Name: hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
- CAS:
- CID: 11831840
- InChiKey: VXRUJZQPKRBJKH-UHFFFAOYSA-N
- InChi: InChI=1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H
- CanoSmiles: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
- IsoSmiles: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
