N,N'-dimethyl-2,9-diazaperopyrenium dication | SBID = 13 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 36 | ||
| 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: | C26H18N2++ | ||
| M / g/mol: | 358.44 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: N,N'-dimethyl-2,9-diazaperopyrenium dication
- Preferred Abbreviation: MDPP
- IUPAC Name: 2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diium
- CAS:
- CID: -1
- InChiKey: PTLVVXTVVBIZIR-UHFFFAOYSA-N
- InChi: InChI=1S/C26H18N2/c1-27-11-15-3-7-19-21-9-5-17-13-28(2)14-18-6-10-22(26(21)24(17)18)20-8-4-16(12-27)23(15)25(19)20/h3-14H,1-2H3/q+2
- CanoSmiles: C[N+]1=CC2=C(C3=C4C=C2)C(C=CC3=C(C=C5)C6=C4C=CC7=C[N+](C)=CC5=C67)=C1
- IsoSmiles: C[N+]1=CC2=C(C3=C4C=C2)C(C=CC3=C(C=C5)C6=C4C=CC7=C[N+](C)=CC5=C67)=C1
