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

C₂₄H₂₄BNO₂CAS 1126522-69-7369.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₄BNO₂
Molar mass: 369.27 g/mol
Exact mass: 369.1900 Da
logP: 5.08Crippen estimate
Polar surface area: 23.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1126522-69-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=CC=C5

InChIKey

UBASCOPZFCGGAV-UHFFFAOYSA-N

InChI

InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18/h5-16H,1-4H3

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Names and synonyms

1 names

9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Work with 9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

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)carbazole618442-57-292 % similar 9-([1,1'-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1391729-66-086 % similar 9-((1,1'-Biphenyl)-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1533406-38-082 % similar 3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester1359833-28-579 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-460 % similar 9-Phenyl-9H-carbazole-3-boronic acid854952-58-258 % similar 1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole952514-86-254 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-carbazole855738-89-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-3 9-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole785051-54-9 (3-(Carbazole-9H)phenyl)pinacol ester870119-58-7

Elsewhere

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