chempirical

N,N′-Diphenylbenzidine

C24H20N2CAS 531-91-9336.44 g/mol

Open in Covalent MOL file
NHNH
Secondary amine

Properties

Molecular formula
C24H20N2
Molar mass
336.44 g/mol
Exact mass
336.1626 Da
Melting point
247 °C
logP
6.84Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
531-91-9
SMILES
c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIKey
FDRNXKXKFNHNCA-UHFFFAOYSA-N
InChI
InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H

Weigh it out

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

Names and synonyms

10 names
  • N,N'-Diphenylbenzidine
  • Diphenylbenzidine
  • [1,1′-Biphenyl]-4,4′-diamine, N4,N4′-diphenyl-
  • Benzidine, N,N′-diphenyl-
  • [1,1′-Biphenyl]-4,4′-diamine, N,N′-diphenyl-
  • N,N′-Diphenyl-[1,1′-biphenyl]-4,4′-diamine
  • N,N′-Diphenyl-p,p′-biphenylenediamine
  • NSC 4310
  • 4,4′-Bis(phenylamino)-1,1′-biphenyl
  • 4,4′-Bis(phenylamino)biphenyl

Work with N,N′-Diphenylbenzidine

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-Phenyl-4-biphenylamine32228-99-294 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-794 % similar Bis-biphenyl-4-yl-amine102113-98-488 % similar N,N′-Diphenyl-p-phenylenediamine74-31-781 % similar Diphenylamine122-39-475 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-865 % similar Diphenylamine hydrochloride537-67-763 % similar N-(4-(Naphthalen-2-yl)phenyl)-[1,1'-biphenyl]-4-amine897921-60-760 % similar

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

Elsewhere

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