N,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine

C₄₄H₃₂N₂CAS 123847-85-8588.75 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₄₄H₃₂N₂
Molar mass: 588.75 g/mol
Exact mass: 588.2565 Da
logP: 12.60Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

123847-85-8

SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87

InChIKey

IBHBKWKFFTZAHE-UHFFFAOYSA-N

InChI

InChI=1S/C44H32N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H

Weigh it out

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

Work with N,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine

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,N′,N′-Tetraphenylbenzidine15546-43-756 % similar N-[1,1-Biphenyl]-4-yl-N-phenyl-[1,1-biphenyl]-4-amine122215-84-354 % similar N,N-Dimethyl-1-naphthylamine86-56-647 % similar N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine65181-78-446 % similar N,N-Diethyl-1-naphthalenamine84-95-743 % similar 1-Phenylnaphthalene605-02-741 % similar 1-(1-Naphthyl)piperazine57536-86-441 % similar 1-Chloronaphthalene90-13-139 % similar

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

Same formula

N,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)benzidine139255-17-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook