chempirical

1,3-Bis(2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl)benzene

C30H30N4O2CAS 138372-67-5478.60 g/mol

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Properties

Molecular formula
C30H30N4O2
Molar mass
478.60 g/mol
Exact mass
478.2369 Da
logP
7.72Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
0 / 6
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
138372-67-5
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C
InChIKey
FQJQNLKWTRGIEB-UHFFFAOYSA-N
InChI
InChI=1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3

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Names and synonyms

1 names
  • 2,2'-(1,3-Phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole]

Work with 1,3-Bis(2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl)benzene

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

Butyl pbd15082-28-778 % similar 4-tert-Butylbiphenyl1625-92-950 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-050 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-248 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-847 % similar 3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole150405-69-943 % similar 1,4-Di-tert-butylbenzene1012-72-241 % similar 1,3-Di-tert-butylbenzene1014-60-441 % similar

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

Elsewhere

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