chempirical

3,5-Diphenyl-4-(1-naphthyl)-1H-1,2,4-triazole

C24H17N3CAS 16152-10-6347.42 g/mol

Open in Covalent MOL file
NNN

Properties

Molecular formula
C24H17N3
Molar mass
347.42 g/mol
Exact mass
347.1422 Da
logP
5.75Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16152-10-6
SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
InChIKey
AOQKGYRILLEVJV-UHFFFAOYSA-N
InChI
InChI=1S/C24H17N3/c1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H

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Names and synonyms

1 names
  • 3,5-Diphenyl-4-napth-1-yl-1,2,4-triazole

Work with 3,5-Diphenyl-4-(1-naphthyl)-1H-1,2,4-triazole

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

9-(1-Naphthyl) carbazole22034-43-153 % similar 1-Phenylnaphthalene605-02-744 % similar Phenylisoquinoline3297-72-140 % similar 3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole150405-69-938 % similar 2-Chloro-4-(4-(naphthalen-1-yl)phenyl)-6-phenyl-1,3,5-triazine2229752-36-536 % similar 1,1′-Binaphthyl604-53-535 % similar Tetrazolium violet1719-71-735 % similar 9-Phenylanthracene602-55-135 % similar

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

Elsewhere

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