N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine

C₃₆H₂₆BrNCAS 728039-63-2552.52 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₃₆H₂₆BrN
Molar mass: 552.52 g/mol
Exact mass: 551.1249 Da
logP: 10.92Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

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

728039-63-2

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)Br

InChIKey

VBQIVFTUXFKGKW-UHFFFAOYSA-N

InChI

InChI=1S/C36H26BrN/c37-33-19-11-29(12-20-33)32-17-25-36(26-18-32)38(34-21-13-30(14-22-34)27-7-3-1-4-8-27)35-23-15-31(16-24-35)28-9-5-2-6-10-28/h1-26H

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Names and synonyms

1 names

Bisbiphenyl-4-yl-(4'-bromo-biphenyl-4-yl)-amine

Work with N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-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

N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine499128-71-1100 % similar 4,4'-Dibromo-4''-phenyltriphenylamine884530-69-2100 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-996 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-091 % similar 4-Bromotriphenylamine36809-26-478 % similar 4,4'-Dibromotriphenylamine81090-53-178 % similar [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis([1,1'-biphenyl]-4-yl)-164724-35-073 % similar 4-Bromo-P-terphenyl1762-84-173 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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