chempirical

B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid

C24H18BNO2CAS 1133058-06-6363.22 g/mol

Open in Covalent MOL file
BNOHHO
Boronic acid

Properties

Molecular formula
C24H18BNO2
Molar mass
363.22 g/mol
Exact mass
363.1431 Da
logP
4.13Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1133058-06-6
SMILES
B(C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)(O)O
InChIKey
AIDQRXUWQFRMAQ-UHFFFAOYSA-N
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20/h1-16,27-28H

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Names and synonyms

1 names
  • 6,9-Diphenyl-9H-carbazole-3-boronic Acid (contains varying amounts of Anhydride)

Work with B-(6,9-Diphenyl-9H-carbazol-3-yl)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

3-Bromo-6,9-diphenyl-9H-carbazole1160294-85-859 % similar [9-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-357 % similar 3-(4-Bromophenyl)-9-phenylcarbazole1028647-93-953 % similar 9-(1,1-Bipheny)-4-yl-3-(4-bromophenyl)carbazole1028648-25-052 % similar 9-Phenyl-9H,9'H-[3,3']bicarbazolyl1060735-14-948 % similar 9-([1,1'-Biphenyl]-3-yl)-9H-carbazole1221237-87-148 % similar 3-(1-Phenyl-1H-benzo[D]imidazol-2-yl)phenylboronic acid1214723-26-847 % similar 9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole1126522-69-745 % similar

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

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