chempirical

1,1′-Bis[(di-4-tolylamino)phenyl]cyclohexane

C46H46N2CAS 58473-78-2626.89 g/mol

Open in Covalent MOL file
NN
Tertiary amine

Properties

Molecular formula
C46H46N2
Molar mass
626.89 g/mol
Exact mass
626.3661 Da
logP
13.11Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
58473-78-2
SMILES
Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1
InChIKey
ZOKIJILZFXPFTO-UHFFFAOYSA-N
InChI
InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3

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Names and synonyms

14 names · show all
  • Benzenamine, 4,4′-cyclohexylidenebis[N,N-bis(4-methylphenyl)-
  • 4,4′-Cyclohexylidenebis[N,N-bis(4-methylphenyl)benzenamine
  • 1,1-Bis(4-di-p-tolylaminophenyl)cyclohexane
  • 4,4′-Cyclohexylidenebis[N,N-di-p-tolylaniline]
  • 1,1-Bis(di-4-tolylaminophenyl)cyclohexane
  • TAPC
  • 1,1-Bis[4-(di-4-tolylamino)phenyl]cyclohexane
  • ST 755
  • 1,1-Bis[4-[N,N′-di(4-methylphenyl)amino]phenyl]cyclohexane
  • Di[4-(N,N-ditolylamino)phenyl]cyclohexane
  • 1,1-Bis[4-[N,N-di(p-tolyl)amino]phenyl]cyclohexane
  • 4,4′-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline]
  • 4,4′-Cyclohexylidenebis(N,N-bis(4-methyphenyl)benzeneamine)
  • 1,1-Bis-(4-(N,N-bis-(4-methylphenyl)amino)phenyl)cyclohexane

Work with 1,1′-Bis[(di-4-tolylamino)phenyl]cyclohexane

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

Tri-P-tolylamine1159-53-156 % similar N,N,N′,N′-Tetra(4-methylphenyl)-1,1′-biphenyl-4,4′-diamine76185-65-450 % similar 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine20440-95-348 % similar 4,4′-Cyclohexylidenebis[benzenamine]3282-99-345 % similar Bisphenol Z843-55-045 % similar 4,4'-Bis[4-(di-P-tolylamino)styryl]biphenyl119586-44-642 % similar 4-[Bis(4-methylphenyl)amino]benzaldehyde42906-19-442 % similar N,N-Diethyl-P-toluidine613-48-938 % similar

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

Elsewhere

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