Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium | SBID = 968 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C28H30N2O4++ | ||
| M / g/mol: | 458.5488 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium
- Preferred Abbreviation: Bis(3,5-dimethoxybenzyl)-4,4′-bipyridinium
- IUPAC Name:
- CAS:
- CID: -306
- InChiKey: UJIBFCZHCFTJIW-UHFFFAOYSA-N
- InChi: InChI=1S/C28H30N2O4/c1-31-25-13-21(14-26(17-25)32-2)19-29-9-5-23(6-10-29)24-7-11-30(12-8-24)20-22-15-27(33-3)18-28(16-22)34-4/h5-18H,19-20H2,1-4H3/q+2
- CanoSmiles: COc1cc(cc(c1)OC)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cc(OC)cc(c1)OC
- IsoSmiles: COC1=CC(OC)=CC(C[N+]2=CC=C(C3=CC=[N+](CC4=CC(OC)=CC(OC)=C4)C=C3)C=C2)=C1
