1,1'-dibutyl-[4,4'-bipyridine]-1,1'-diium | SBID = 2421 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.04
Charge: 2.0
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: C18H26N2++
M / g/mol: 270.41244
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1,1'-dibutyl-[4,4'-bipyridine]-1,1'-diium
  • Preferred Abbreviation: Dibutyl Bipyridinium
  • IUPAC Name:
  • CAS:
  • CID: -1022
  • InChiKey: IYBJGKAWHHFZSQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H26N2/c1-3-5-11-19-13-7-17(8-14-19)18-9-15-20(16-10-18)12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3/q+2
  • CanoSmiles: CCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCC
  • IsoSmiles: CCCC[N+](C=C1)=CC=C1C2=CC=[N+](CCCC)C=C2