chempirical

2-Bromo triphenylamine

C18H14BrNCAS 78600-31-4324.22 g/mol

Open in Covalent MOL file
NBr
Aryl halideTertiary amine

Properties

Molecular formula
C18H14BrN
Molar mass
324.22 g/mol
Exact mass
323.0310 Da
logP
5.92Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
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
78600-31-4
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3Br
InChIKey
YPIANBZIVBPMJS-UHFFFAOYSA-N
InChI
InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H

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Names and synonyms

1 names
  • 2-Bromotriphenylamine

Work with 2-Bromo triphenylamine

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

Triphenylamine603-34-952 % similar 2-Bromo-N,N-dimethylbenzenamine698-00-050 % similar 4,4'-Dibromotriphenylamine81090-53-150 % similar N-(4-Bromophenyl)-N-phenyl-1-naphthylamine138310-84-648 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-045 % similar N,N,N′,N′-Tetraphenylbenzidine15546-43-744 % similar N,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine123847-85-844 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-943 % similar

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

Same formula

N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-8 4-Bromotriphenylamine36809-26-4

Elsewhere

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