(3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid

C₁₈H₁₃BO₂SCAS 1307859-67-1304.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₃BO₂S
Molar mass: 304.17 g/mol
Exact mass: 304.0729 Da
logP: 3.40Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1307859-67-1

SMILES

B(C1=CC(=CC=C1)C2=CC=CC3=C2SC4=CC=CC=C34)(O)O

InChIKey

NLOHUARANQHPPJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H13BO2S/c20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16/h1-11,20-21H

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Names and synonyms

1 names

B-[3-(4-Dibenzothienyl)phenyl]boronic acid

Work with (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)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

4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-060 % similar 4-Dibenzothiopheneboronic acid108847-20-755 % similar (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid1271726-52-352 % similar 4-Bromodibenzothiophene97511-05-243 % similar 4-Iododibenzothiophene132034-89-040 % similar (3,5-Diphenylphenyl)boronic acid128388-54-540 % similar 3-Cyanophenylboronic acid150255-96-240 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-337 % similar

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

Same formula

(6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid1115640-18-0

Elsewhere

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