Lucigenin | SBID = 851 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 108
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C28H22N4O6
M / g/mol: 510.49748
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Lucigenin
  • Preferred Abbreviation: Lucigenin
  • IUPAC Name: 10-Methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate
  • CAS: 2315-97-1
  • CID: -245
  • InChiKey: KNJDBYZZKAZQNG-UHFFFAOYSA-N
  • InChi: InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1
  • CanoSmiles: C[n+]1c2ccccc2c(c2c1cccc2)c1c2ccccc2[n+](c2c1cccc2)C.[O-][N+](=O)[O-].[O-][N+](=O)[O-]
  • IsoSmiles: C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]