9-([1,1'-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

C30H28BNO2CAS 1391729-66-0445.37 g/mol

Open in Covalent MOL file
BOON
Boronic ester

Properties

Molecular formula
C30H28BNO2
Molar mass
445.37 g/mol
Exact mass
445.2213 Da
logP
6.75Crippen estimate
Polar surface area
23.4 Ų
H-bond donors / acceptors
0 / 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
1391729-66-0
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6
InChIKey
ZQVXGZDSERJQTC-UHFFFAOYSA-N
InChI
InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-16-19-28-26(20-23)25-12-8-9-13-27(25)32(28)24-17-14-22(15-18-24)21-10-6-5-7-11-21/h5-20H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 9H-Carbazole, 9-[1,1'-biphenyl]-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Work with 9-([1,1'-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-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)carbazole1126522-69-786 % similar 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole618442-57-279 % similar 9-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole785051-54-974 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-373 % similar (3-(Carbazole-9H)phenyl)pinacol ester870119-58-765 % similar 9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole57102-51-958 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-457 % similar 9-([1,1'-Biphenyl]-4-yl)-9'-phenyl-9H,9'H-3,3'-bicarbazole1454567-05-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Phenyl-9-phenylcarbazole-6-boronic acid pinacol ester1359833-28-5 9-((1,1'-Biphenyl)-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole1533406-38-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook