chempirical

(3,5-Diphenylphenyl)boronic acid

C18H15BO2CAS 128388-54-5274.13 g/mol

Open in Covalent MOL file
BOHHO
Boronic acid

Properties

Molecular formula
C18H15BO2
Molar mass
274.13 g/mol
Exact mass
274.1165 Da
logP
2.70Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
128388-54-5
SMILES
B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
InChIKey
MRBZYVMZUBUDAX-UHFFFAOYSA-N
InChI
InChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H

Weigh it out

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

Work with (3,5-Diphenylphenyl)boronic acid

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

1,3,5-Triphenylbenzene612-71-557 % similar Phenylboronic acid98-80-657 % similar M-Terphenyl92-06-848 % similar 2-Naphthylboronic acid32316-92-046 % similar B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-645 % similar 1-Bromo-3,5-diphenylbenzene103068-20-844 % similar B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid400607-47-844 % similar 3-Methylphenylboronic acid17933-03-843 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook