Viologen-cyclophane-C7 | SBID = 620 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C34H44F24N4P4 | ||
| M / g/mol: | 1088.6107 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Viologen-cyclophane-C7
- Preferred Abbreviation: Viologen-cyclophane-C7
- IUPAC Name: 1,2,11(4,1),10(1,4)-tetrapyridin-1-iumacyclooctadecaphane-11,21,101,111-tetraium
- CAS:
- CID: -148
- InChiKey: ORBGPWFCAMAJSM-UHFFFAOYSA-N
- InChi: InChI=1S/C34H44N4.4F6P/c1-3-7-19-35-23-11-31(12-24-35)33-15-27-37(28-16-33)21-9-5-2-6-10-22-38-29-17-34(18-30-38)32-13-25-36(26-14-32)20-8-4-1;4*1-7(2,3,4,5)6/h11-18,23-30H,1-10,19-22H2;;;;/q+4;4*-1
- CanoSmiles: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[N+]12=CC=C(C3=CC=[N+](CCCCCCC[N+](C=C4)=CC=C4C(C=C5)=CC=[N+]5CCCCCCC2)C=C3)C=C1
- IsoSmiles: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[N+]12=CC=C(C3=CC=[N+](CCCCCCC[N+](C=C4)=CC=C4C(C=C5)=CC=[N+]5CCCCCCC2)C=C3)C=C1
