N′,N′′‐hexamethylenebis(1‐methyl‐4,4′‐bipyridinium | SBID = 2026 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 4.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C28H34N4++++
M / g/mol: 426.59636
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N′,N′′‐hexamethylenebis(1‐methyl‐4,4′‐bipyridinium
  • Preferred Abbreviation: HBV4+
  • IUPAC Name:
  • CAS:
  • CID: -871
  • InChiKey: PAPOWGUGSPRWHF-UHFFFAOYSA-N
  • InChi: InChI=1S/C28H34N4/c1-29-17-7-25(8-18-29)27-11-21-31(22-12-27)15-5-3-4-6-16-32-23-13-28(14-24-32)26-9-19-30(2)20-10-26/h7-14,17-24H,3-6,15-16H2,1-2H3/q+4
  • CanoSmiles: C[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C
  • IsoSmiles: C[N+]1=CC=C(C2=CC=[N+](CCCCCC[N+]3=CC=C(C4=CC=[N+](C)C=C4)C=C3)C=C2)C=C1