(Z)-1,2-Diphenyl-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethene

C₂₆H₃₄B₂O₄CAS 151416-94-3432.17 g/mol

Open in Covalent MOL file

Alkene Boronic ester

Properties

Molecular formula: C₂₆H₃₄B₂O₄
Molar mass: 432.17 g/mol
Exact mass: 432.2643 Da
logP: 5.86Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

151416-94-3

SMILES

B1(OC(C(O1)(C)C)(C)C)/C(=C(\B2OC(C(O2)(C)C)(C)C)/C3=CC=CC=C3)/C4=CC=CC=C4

InChIKey

YFLBNMYBKXYNJN-DQRAZIAOSA-N

InChI

InChI=1S/C26H34B2O4/c1-23(2)24(3,4)30-27(29-23)21(19-15-11-9-12-16-19)22(20-17-13-10-14-18-20)28-31-25(5,6)26(7,8)32-28/h9-18H,1-8H3/b22-21-

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Names and synonyms

1 names

cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene

Work with (Z)-1,2-Diphenyl-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethene

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-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-558 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-642 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-541 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-040 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-740 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-739 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-839 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-238 % similar

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

Elsewhere

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