N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium) | SBID = 749 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 51.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 6.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 413.4 | ||
| Sum Formula: | C34H34N2O2+2 | ||
| M / g/mol: | 502.6 | ||
| Complexity: | 554.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium)
- Preferred Abbreviation: N,N'-[p-phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium)
- IUPAC Name: benzyl-[[4-[4-[4-[(benzylazaniumyl)methyl]phenoxy]phenoxy]phenyl]methyl]azanium
- CAS:
- CID: 122216438
- InChiKey: MXNIAIUQZPGTRA-UHFFFAOYSA-P
- InChi: InChI=1S/C34H32N2O2/c1-3-7-27(8-4-1)23-35-25-29-11-15-31(16-12-29)37-33-19-21-34(22-20-33)38-32-17-13-30(14-18-32)26-36-24-28-9-5-2-6-10-28/h1-22,35-36H,23-26H2/p+2
- CanoSmiles: C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)C[NH2+]CC5=CC=CC=C5
- IsoSmiles: C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)C[NH2+]CC5=CC=CC=C5
