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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

9-Phenyl-9H-carbazole-3-boronic acid854952-58-276 % similar 9-([1,1'-Biphenyl]-4-yl)-9'-phenyl-9H,9'H-3,3'-bicarbazole1454567-05-563 % similar (9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-263 % similar 3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester1359833-28-561 % similar 9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole57102-51-961 % similar 9-[1,1'-Biphenyl]-3-yl-9'-phenyl-3,3'-bi-9H-carbazole1619966-75-460 % similar 3-Bromo-6,9-diphenyl-9H-carbazole1160294-85-859 % similar 9-[1,1'-Biphenyl]-3-yl-9'-[1,1'-biphenyl]-4-yl-3,3'-bi-9H-carbazole1643479-47-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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