chempirical

4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl

C20H26CAS 1625-91-8266.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C20H26
Molar mass
266.43 g/mol
Exact mass
266.2035 Da
Density
0.9502 g/mL (at 20 °C)
Melting point
122 °C
Boiling point
326 °C
logP
5.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1625-91-8
SMILES
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIKey
CDKCEZNPAYWORX-UHFFFAOYSA-N
InChI
InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3

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

Names and synonyms

7 names
  • 1,1′-Biphenyl, 4,4′-bis(1,1-dimethylethyl)-
  • Biphenyl, 4,4′-di-tert-butyl-
  • p,p′-Di-tert-butylbiphenyl
  • 4,4′-Di-tert-butylbiphenyl
  • DBB
  • 4,4′-Di-tert-butyl-1,1′-biphenyl
  • 1-tert-Butyl-4-(4-tert-butylphenyl)benzene

Work with 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-tert-Butyltoluene98-51-160 % similar tert-Butylbenzene98-06-658 % similar 4-tert-Butylthiophenol2396-68-157 % similar 1-tert-Butyl-4-iodobenzene35779-04-557 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-357 % similar 1-Bromo-4-tert-butylbenzene3972-65-457 % similar 4-tert-Butylaniline769-92-657 % similar 4-tert-Butylphenol98-54-457 % similar

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

Elsewhere

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