chempirical

Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine

C36H34BNO2CAS 952431-30-0523.48 g/mol

Open in Covalent MOL file
BOON
Boronic esterTertiary amine

Properties

Molecular formula
C36H34BNO2
Molar mass
523.48 g/mol
Exact mass
523.2683 Da
logP
8.79Crippen estimate
Polar surface area
21.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

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
952431-30-0
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
InChIKey
PESBFNLGEMHNAM-UHFFFAOYSA-N
InChI
InChI=1S/C36H34BNO2/c1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28/h5-26H,1-4H3

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Work with Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine

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

Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine267221-88-584 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-481 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-868 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-665 % similar Phenylboronic acid pinacol ester24388-23-663 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-359 % similar N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline171364-78-658 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-158 % similar

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

Elsewhere

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