1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium | SBID = 347 | 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:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C22H16Br2N2 2+
M / g/mol: 468.19
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium
  • Preferred Abbreviation: 1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium
  • IUPAC Name: 1,1'-bis(4-bromophenyl)-[4,4'-bipyridine]-1,1'-diium
  • CAS:
  • CID: -63
  • InChiKey: PSLSPZHIMUSMJZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H16Br2N2/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/h1-16H/q+2
  • CanoSmiles: BrC1=CC=C([N+]2=CC=C(C3=CC=[N+](C4=CC=C(Br)C=C4)C=C3)C=C2)C=C1
  • IsoSmiles: BrC[5]=CC=C(N[6:+]=CC=C(C[13]=CC=N[+](C[19]=CC=C(Br)C=C@19)C=C@13)C=C@7)C=C@6