1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | SBID = 351 | 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: | C24H22N2O2 2+ | ||
| M / g/mol: | 370.45 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium
- Preferred Abbreviation: 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium
- IUPAC Name: 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium
- CAS:
- CID: -67
- InChiKey: YSKLQTARMNBBHV-UHFFFAOYSA-N
- InChi: InChI=1S/C24H22N2O2/c1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22/h3-18H,1-2H3/q+2
- CanoSmiles: COC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(OC)C=C4)C=C3)C=C2)C=C1
- IsoSmiles: COC[5]=CC=C(N[6:+]=CC=C(C[13]=CC=N[+](C[19]=CC=C(OC)C=C@19)C=C@13)C=C@7)C=C@6
