chempirical

Lucigenin

C28H22N3O3+CAS 2315-97-1448.50 g/mol

Open in Covalent MOL file
N+N+ON+O−O−
Nitro

Properties

Molecular formula
C28H22N3O3+
Molar mass
448.50 g/mol
Exact mass
448.1661 Da
Melting point
above 330 °C
logP
5.38Crippen estimate
Polar surface area
74.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2315-97-1
SMILES
C[n+]1c2ccccc2c(-c2c3ccccc3[n+](C)c3ccccc23)c2ccccc21.O=[N+]([O-])[O-]
InChIKey
IQDVDOOKYWOQSX-UHFFFAOYSA-N
InChI
InChI=1S/C28H22N2.NO3/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;2-1(3)4/h3-18H,1-2H3;/q+2;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 9,9′-Biacridinium, 10,10′-dimethyl-, nitrate (1:2)
  • 9,9′-Biacridinium, 10,10′-dimethyl-, dinitrate
  • 10,10′-Dimethyl-9,9′-biacridinium dinitrate
  • Lucigenin nitrate
  • Lucigenine
  • N,N′-Dimethyl-9,9′-biacridinium dinitrate
  • NSC 151912
  • L 6868

Work with Lucigenin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenyliodonium nitrate722-56-540 % similar 4-Nitroquinoline 1-oxide56-57-536 % similar 2-Methyl-1-nitronaphthalene881-03-833 % similar Phenazine methosulfate299-11-632 % similar Ruthenium nitrosyl nitrate34513-98-931 % similar Tetramethylammonium nitrate1941-24-831 % similar 1-Nitronaphthalene86-57-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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