1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium | SBID = 349 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| 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: | C24H16N4 2+ | ||
| M / g/mol: | 360.42 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium
- Preferred Abbreviation: 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium
- IUPAC Name: 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium
- CAS:
- CID: -65
- InChiKey: XQXUNGHBKUCADB-UHFFFAOYSA-N
- InChi: InChI=1S/C24H16N4/c25-17-19-1-5-23(6-2-19)27-13-9-21(10-14-27)22-11-15-28(16-12-22)24-7-3-20(18-26)4-8-24/h1-16H/q+2
- CanoSmiles: N#CC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(C#N)C=C4)C=C3)C=C2)C=C1
- IsoSmiles: N#CC[5]=CC=C(N[6:+]=CC=C(C[13]=CC=N[+](C[19]=CC=C(C#N)C=C@19)C=C@13)C=C@7)C=C@6
