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

C₃₀H₃₅B₂NO₄CAS 618442-57-2495.23 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₃₀H₃₅B₂NO₄
Molar mass: 495.23 g/mol
Exact mass: 495.2752 Da
logP: 5.38Crippen estimate
Polar surface area: 41.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

618442-57-2

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)B5OC(C(O5)(C)C)(C)C)C6=CC=CC=C6

InChIKey

BMKVLWGCSCKZTD-UHFFFAOYSA-N

InChI

InChI=1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22/h9-19H,1-8H3

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Names and synonyms

1 names

9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Work with 9-Phenyl-3,6-bis(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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole1126522-69-792 % similar 3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester1359833-28-585 % similar 9-([1,1'-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1391729-66-079 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-378 % similar 9-((1,1'-Biphenyl)-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1533406-38-075 % similar 9-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole785051-54-969 % similar (3-(Carbazole-9H)phenyl)pinacol ester870119-58-768 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-461 % similar

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

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