p-Hexakis-imidazolium Cage p-(1,4-1',4'-1'',4'')benzene·bis-(1,3,5-tri(1H-imidazol-1-yl)benzene hexachloride | SBID = 2738 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 6
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.0
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: C54H48N12Cl6
M / g/mol: 1077.76
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: p-Hexakis-imidazolium Cage p-(1,4-1',4'-1'',4'')benzene·bis-(1,3,5-tri(1H-imidazol-1-yl)benzene hexachloride
  • Preferred Abbreviation: p-HiCage
  • IUPAC Name: p-(1,4-1',4'-1'',4'')benzene·bis-(1,3,5-tri(1H-imidazol-1-yl)benzene hexachloride
  • CAS:
  • CID: -1218
  • InChiKey:
  • InChi:
  • CanoSmiles:
  • IsoSmiles: N1(C2=CC([N@@]3C=[N+](CC4=CC=C5C=C4)C=C3)=CC(N6C=[N+](CC7=CC=C8C=C7)C=C6)=C2)C=[N+](CC9=CC=C(C[N+](C=C%10)=CN%10C%11=CC([N@@]%12C=[N+](C5)C=C%12)=CC(N%13C=[N]([CH+]8)C=C%13)=C%11)C=C9)C=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]