chempirical

4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl

C24H17BrCAS 116941-52-7385.30 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C24H17Br
Molar mass
385.30 g/mol
Exact mass
384.0514 Da
Melting point
150.5–151 °C
logP
7.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
116941-52-7
SMILES
Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIKey
SIAJAYFLPBYCOF-UHFFFAOYSA-N
InChI
InChI=1S/C24H17Br/c25-24-13-11-20(12-14-24)23-16-21(18-7-3-1-4-8-18)15-22(17-23)19-9-5-2-6-10-19/h1-17H

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Names and synonyms

3 names
  • 1,1′:3′,1′′-Terphenyl, 4-bromo-5′-phenyl-
  • 1-(4-Bromophenyl)-3,5-diphenylbenzene
  • 4-(4-Bromophenyl)-2,6-diphenylbenzene

Work with 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl

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-Bromobiphenyl92-66-084 % similar 1-Bromo-3,5-diphenylbenzene103068-20-876 % similar 3,5-Dibromobiphenyl16372-96-668 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-864 % similar 1,3,5-Triphenylbenzene612-71-563 % similar 4,4′-Dibromobiphenyl92-86-463 % similar 3-Bromobiphenyl2113-57-758 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-058 % similar

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

Elsewhere

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