chempirical

3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole

C30H27N3CAS 150405-69-9429.57 g/mol

Open in Covalent MOL file
NNN

Properties

Molecular formula
C30H27N3
Molar mass
429.57 g/mol
Exact mass
429.2205 Da
logP
7.57Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

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
150405-69-9
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5
InChIKey
ZVFQEOPUXVPSLB-UHFFFAOYSA-N
InChI
InChI=1S/C30H27N3/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h4-21H,1-3H3

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Work with 3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-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

4-tert-Butylbiphenyl1625-92-961 % similar Butyl pbd15082-28-755 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-848 % similar tert-Butylbenzene98-06-644 % similar 1,3-Bis(2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl)benzene138372-67-543 % similar 4-Bromo-4'-(tert-butyl)biphenyl162258-89-141 % similar (4-tert-Butyl-phenyl)-phenyl-amine4496-49-539 % similar 4-tert-Butyldiphenyl sulfide85609-03-639 % similar

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

Elsewhere

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