1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium | SBID = 353 | Compound | Custom Molecule

Molecular Properties

Interactions: 3
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: C22H20N4 2+
M / g/mol: 340.43
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium
  • Preferred Abbreviation: 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium
  • IUPAC Name: 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium
  • CAS:
  • CID: -69
  • InChiKey: VRRNGAYSFGVAEP-UHFFFAOYSA-O
  • InChi: InChI=1S/C22H19N4/c23-19-1-5-21(6-2-19)25-13-9-17(10-14-25)18-11-15-26(16-12-18)22-7-3-20(24)4-8-22/h1-16,23H,24H2/q+1/p+1
  • CanoSmiles: NC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(N)C=C4)C=C3)C=C2)C=C1
  • IsoSmiles: NC[5]=CC=C(N[6:+]=CC=C(C[13]=CC=N[+](C[19]=CC=C(N)C=C@19)C=C@13)C=C@7)C=C@6