chempirical

Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

C48H69N3O6CAS 27676-62-6784.10 g/mol

Open in Covalent MOL file
NONOHONHOOHO
Phenol

Properties

Molecular formula
C48H69N3O6
Molar mass
784.10 g/mol
Exact mass
783.5186 Da
logP
9.22Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Identifiers

CAS number
27676-62-6
SMILES
CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O
InChIKey
VNQNXQYZMPJLQX-UHFFFAOYSA-N
InChI
InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3

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Names and synonyms

49 names · show all
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-
  • 1,3,5-Tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1H,3H,5H)-trione
  • 1,3,5-Tris(4-hydroxy-3,5-di-tert-butylbenzyl)cyanuric acid
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazinetrione
  • Good-rite 3114
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazin-2,4,6(1H,3H,5H)-trione
  • AO 2
  • AgeRite GT
  • Mark AO 20
  • Irganox 3114
  • G 3114
  • Vixid
  • 1,3,5-Tris(3′,5′-di-tert-butyl-4′-hydroxybenzyl)-5-triazine-2,4,6(1H,3H,5H)-trione
  • Anox 3114
  • Mixxim AO 20
  • Vanox GT
  • ADK Stab AO 20
  • Yoshinox 314
  • Keminox 314
  • 1,3,5-Tri(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate
  • Ethanox 314
  • IR 3114
  • Cyanox 1741
  • Anox IC 14
  • Alvinox FB
  • Antioxidant 3114
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)[1,3,5]triazin-2,4,6-trione
  • Hostanox M 014
  • AT 3114
  • AO 20
  • AO 106
  • E 043
  • Thanox 3114
  • AO 1179
  • Antioxidant 1179
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)isocyanuric acid)
  • Songnox 3114
  • Sonox 3114
  • AO 20 antioxidant
  • Adeka stab AO 20
  • Chinox 3114
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
  • 1,3,5-Tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
  • AO 3114
  • Evernox 3114

Work with Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate

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

Cyanox 179040601-76-160 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-158 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-654 % similar 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-650 % similar 2,6-Di-tert-butyl-α-(dimethylamino)-P-cresol88-27-750 % similar 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene1709-70-249 % similar 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-548 % similar 2,4,6-Tri-tert-butylphenol732-26-347 % similar

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

Elsewhere

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