1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium | SBID = 354 | 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: | C22H16N4O4 2+ | ||
| M / g/mol: | 400.39 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium
- Preferred Abbreviation: 1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium
- IUPAC Name: 1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium
- CAS:
- CID: -70
- InChiKey: WPBZJAFLWOPUNV-UHFFFAOYSA-N
- InChi: InChI=1S/C22H16N4O4/c27-25(28)21-5-1-19(2-6-21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-3-7-22(8-4-20)26(29)30/h1-16H/q+2
- CanoSmiles: O=[N+](C1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C([N+]([O-])=O)C=C4)C=C3)C=C2)C=C1)[O-]
- IsoSmiles: O=N[+](C[5]=CC=C(N[6:+]=CC=C(C[13]=CC=N[+](C[19]=CC=C(N[+](O[-])=O)C=C@19)C=C@13)C=C@7)C=C@6)O[-]
