N,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)benzidine

C₄₄H₃₂N₂CAS 139255-17-7588.75 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

139255-17-7

SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C7=CC8=CC=CC=C8C=C7

InChIKey

BLFVVZKSHYCRDR-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with N,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)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,N′,N′-Tetraphenylbenzidine15546-43-767 % similar N-[1,1-Biphenyl]-4-yl-N-phenyl-[1,1-biphenyl]-4-amine122215-84-364 % similar N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine65181-78-458 % similar 2-Phenylnaphthalene612-94-256 % similar N,N-Dimethyl-2-naphthalenamine2436-85-350 % similar 2,2′-Binaphthalene612-78-250 % similar 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine124729-98-248 % similar 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine20440-95-343 % similar

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

Same formula

N,N'-Bis- (1-naphthalenyl)-N,N'-bis-phenyl-(1,1'-biphenyl)-4,4'-diamine123847-85-8

Elsewhere

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