1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene

C₃₂H₃₁BO₂CAS 1260865-91-5458.41 g/mol

Open in Covalent MOL file

Alkene Boronic ester

Properties

Molecular formula: C₃₂H₃₁BO₂
Molar mass: 458.41 g/mol
Exact mass: 458.2417 Da
logP: 6.99Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

1260865-91-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChIKey

XIPGCKFASRXQSN-UHFFFAOYSA-N

InChI

InChI=1S/C32H31BO2/c1-31(2)32(3,4)35-33(34-31)28-22-20-27(21-23-28)30(26-18-12-7-13-19-26)29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h5-23H,1-4H3

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Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(4-(1,2,2-triphenylvinyl)phenyl)-1,3,2-dioxaborolane

Work with 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene

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

2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-657 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-055 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-854 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-253 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-751 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-750 % similar 4-Formylphenylboronic acid pinacol ester128376-64-749 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-248 % similar

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

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