chempirical

N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-di(1-naphthyl)benzidine

C68H50N4CAS 910058-11-6923.18 g/mol

Open in Covalent MOL file
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Tertiary amine

Properties

Molecular formula
C68H50N4
Molar mass
923.18 g/mol
Exact mass
922.4035 Da
logP
19.54Crippen estimate
Polar surface area
13.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
13

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
910058-11-6
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
InChIKey
NXTRQJAJPCXJPY-UHFFFAOYSA-N
InChI
InChI=1S/C68H50N4/c1-5-23-55(24-6-1)69(56-25-7-2-8-26-56)59-43-47-63(48-44-59)71(67-33-17-21-53-19-13-15-31-65(53)67)61-39-35-51(36-40-61)52-37-41-62(42-38-52)72(68-34-18-22-54-20-14-16-32-66(54)68)64-49-45-60(46-50-64)70(57-27-9-3-10-28-57)58-29-11-4-12-30-58/h1-50H

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Names and synonyms

1 names
  • [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis[4-(diphenylamino)phenyl]-N4,N4'-di-1-naphthalenyl-

Work with N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-di(1-naphthyl)benzidine

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,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine123847-85-896 % similar N-(4-Bromophenyl)-N-phenyl-1-naphthylamine138310-84-670 % similar N,N,N′,N′-Tetraphenylbenzidine15546-43-759 % similar N-[1,1-Biphenyl]-4-yl-N-phenyl-[1,1-biphenyl]-4-amine122215-84-357 % similar N,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)benzidine139255-17-755 % similar [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis([1,1'-biphenyl]-4-yl)-164724-35-054 % similar N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine65181-78-449 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-048 % similar

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

Elsewhere

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