1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium | SBID = 272 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
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: C22H18N2+
M / g/mol: 310.4
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium
  • Preferred Abbreviation: 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium
  • IUPAC Name: 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium
  • CAS:
  • CID: -44
  • InChiKey: FRAALLYKYQKVNX-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H18N2/c1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22/h1-18H/q+2
  • CanoSmiles: C1([N+]2=CC=C(C3=CC=[N+](C4=CC=CC=C4)C=C3)C=C2)=CC=CC=C1
  • IsoSmiles: C1([N+]2=CC=C(C3=CC=[N+](C4=CC=CC=C4)C=C3)C=C2)=CC=CC=C1