3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester

C₃₀H₂₈BNO₂CAS 1359833-28-5445.37 g/mol

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Properties

Molecular formula: C₃₀H₂₈BNO₂
Molar mass: 445.37 g/mol
Exact mass: 445.2213 Da
logP: 6.75Crippen estimate
Polar surface area: 23.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

1359833-28-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChIKey

QVMVGEABPNCFOY-UHFFFAOYSA-N

InChI

InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-16-18-28-26(20-23)25-19-22(21-11-7-5-8-12-21)15-17-27(25)32(28)24-13-9-6-10-14-24/h5-20H,1-4H3

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Names and synonyms

1 names

3,9-Diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Work with 3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester

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-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole618442-57-285 % similar 9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole1126522-69-779 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-367 % similar B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-661 % similar 9-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole785051-54-960 % similar (3-(Carbazole-9H)phenyl)pinacol ester870119-58-760 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-459 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-([1,1'-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1391729-66-0 9-((1,1'-Biphenyl)-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1533406-38-0

Elsewhere

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