chempirical

Malachite green carbinol

C23H26N2OCAS 510-13-4346.47 g/mol

Open in Covalent MOL file
NOHN
AlcoholTertiary amine

Properties

Molecular formula
C23H26N2O
Molar mass
346.47 g/mol
Exact mass
346.2045 Da
Melting point
119 °C
logP
4.10Crippen estimate
Polar surface area
26.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
510-13-4
SMILES
CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIKey
LXHOGENDFZKPSF-UHFFFAOYSA-N
InChI
InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3

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Names and synonyms

10 names
  • Benzenemethanol, 4-(dimethylamino)-α-[4-(dimethylamino)phenyl]-α-phenyl-
  • Methanol, bis[p-(dimethylamino)phenyl]phenyl-
  • 4-(Dimethylamino)-α-[4-(dimethylamino)phenyl]-α-phenylbenzenemethanol
  • C.I. Basic Green 4, carbinol
  • p,p′-Bis(dimethylamino)triphenylcarbinol
  • Bis(p-dimethylaminophenyl)phenylmethanol
  • Bis(4-N,N-dimethylaminophenyl)phenylmethyl alcohol
  • p,p′-(N,N-Dimethylaminotriphenylmethanol
  • 1,1-Bis(4-dimethylaminophenyl)-1-phenylmethanol
  • Malachite green carbinol base

Work with Malachite green carbinol

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

Triphenylmethanol76-84-660 % similar Dimethylaniline121-69-754 % similar α,α-Diphenyl-4-pyridinemethanol1620-30-048 % similar Wurster'S blue100-22-148 % similar Leucomalachite green129-73-747 % similar Methyl yellow60-11-747 % similar N,N-Dimethylanilinium hydrogen sulfate58888-49-644 % similar N,N,N′,N′-Tetramethylbenzidine366-29-043 % similar

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

Elsewhere

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