homoditopic bis-4-(N-methylpyridi- nium)azobenzene | SBID = 2017 | 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: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H22N4++
M / g/mol: 366.45828
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: homoditopic bis-4-(N-methylpyridi- nium)azobenzene
  • Preferred Abbreviation: AzobPy
  • IUPAC Name:
  • CAS:
  • CID: -867
  • InChiKey: GDIGBZCFCAVTGE-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H22N4/c1-3-15-27(16-4-1)19-21-7-11-23(12-8-21)25-26-24-13-9-22(10-14-24)20-28-17-5-2-6-18-28/h1-18H,19-20H2/q+2
  • CanoSmiles: c1cc[n+](cc1)Cc1ccc(cc1)/N=N/c1ccc(cc1)C[n+]1ccccc1
  • IsoSmiles: [N+]1(CC2=CC=C(/N=N/C3=CC=C(C[N+]4=CC=CC=C4)C=C3)C=C2)=CC=CC=C1