4-(9H-Carbozol-9-yl)phenylboronic acid

C₁₈H₁₄BNO₂CAS 419536-33-7287.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₄BNO₂
Molar mass: 287.13 g/mol
Exact mass: 287.1118 Da
logP: 2.46Crippen estimate
Polar surface area: 45.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

419536-33-7

SMILES

B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O

InChIKey

JGAVTCVHDMOQTJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H

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Names and synonyms

1 names

4-(9H-Carbazol-9-yl)phenylboronic Acid

Work with 4-(9H-Carbozol-9-yl)phenylboronic 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-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-365 % similar 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl58328-31-759 % similar 9-Phenylcarbazole1150-62-557 % similar 9-(4-Phenylphenyl)carbazole6299-16-755 % similar B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-654 % similar 4,4',4''-Tris(carbazol-9-yl)-triphenylamine139092-78-753 % similar 9-(4-Bromophenyl)carbazole57102-42-853 % similar 9-(4-Iodophenyl)carbazole57103-15-853 % similar

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

Same formula

(9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-2 B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid1189047-28-6 9-Phenyl-9H-carbazole-3-boronic acid854952-58-2 3-(9H-Carbazol-9-yl)phenylboronic acid864377-33-3

Elsewhere

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