chempirical

[1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis([1,1'-biphenyl]-4-yl)-

C60H44N2CAS 164724-35-0793.03 g/mol

Open in Covalent MOL file
NN
Tertiary amine

Properties

Molecular formula
C60H44N2
Molar mass
793.03 g/mol
Exact mass
792.3504 Da
logP
16.96Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11

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
164724-35-0
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1
InChIKey
WXAIEIRYBSKHDP-UHFFFAOYSA-N
InChI
InChI=1S/C60H44N2/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H

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Work with [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis([1,1'-biphenyl]-4-yl)-

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-[1,1-Biphenyl]-4-yl-N-phenyl-[1,1-biphenyl]-4-amine122215-84-394 % similar N,N,N′,N′-Tetraphenylbenzidine15546-43-788 % similar N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine499128-71-173 % similar N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine728039-63-273 % similar 4,4'-Dibromo-4''-phenyltriphenylamine884530-69-273 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-970 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-065 % similar N,N'-Diphenyl-N,N'-di-P-tolyl- benzidine20441-06-965 % similar

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

Elsewhere

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