chempirical

Difenzoquat

C17H17N2+CAS 49866-87-7249.34 g/mol

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Properties

Molecular formula
C17H17N2+
Molar mass
249.34 g/mol
Exact mass
249.1392 Da
logP
3.18Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
49866-87-7
SMILES
Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C
InChIKey
LBGPXIPGGRQBJW-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-
  • 1,2-Dimethyl-3,5-diphenyl-1H-pyrazolium
  • Avenge CP

Work with Difenzoquat

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

1-Methyl-2-phenylindole3558-24-538 % similar 1-Ethyl-2-phenyl-1H-indole13228-39-232 % similar 1,3,5-Triphenylbenzene612-71-531 % similar M-Terphenyl92-06-830 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook