(E)-4-(2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)vinyl)-1-methylpyridin-1-ium | SBID = 2611 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 6
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 6.62
Charge: 0.0
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: C24H24IN
M / g/mol: 453.35853
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (E)-4-(2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)vinyl)-1-methylpyridin-1-ium
  • Preferred Abbreviation: MVCP
  • IUPAC Name:
  • CAS:
  • CID: -1158
  • InChiKey: GRWXNDHDQXREIU-UHFFFAOYSA-M
  • InChi: InChI=1S/C24H24N.HI/c1-25-16-14-21(15-17-25)9-13-24-18-22-7-6-19-2-4-20(5-3-19)8-11-23(24)12-10-22;/h2-5,9-10,12-18H,6-8,11H2,1H3;1H/q+1;/p-1
  • CanoSmiles: C[n+]1ccc(cc1)/C=C/c1cc2ccc1CCc1ccc(CC2)cc1.[I-]
  • IsoSmiles: C[N+](C=C1)=CC=C1/C=C/C2=C3C=CC(CCC4=CC=C(CC3)C=C4)=C2.[I-]