2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine

C51H75N3O3 — CID 132609953

IUPAC2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
SMILESCOc1c(Cc2nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)n2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C51H75N3O3/c1-46(2,3)34-22-31(43(55-19)37(28-34)49(10,11)12)25-40-52-41(26-32-23-35(47(4,5)6)29-38(44(32)56-20)50(13,14)15)54-42(53-40)27-33-24-36(48(7,8)9)30-39(45(33)57-21)51(16,17)18/h22-24,28-30H,25-27H2,1-21H3
InChIKeyAOZWSSNNZYACFJ-UHFFFAOYSA-N
MW778.18 g/mol
LogP12.45
Rot. Bonds9

About 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine

2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine (PubChem CID 132609953) has the molecular formula C51H75N3O3 and a molecular weight of 778.18 g/mol. Its IUPAC name is 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
PubChem CID132609953
Molecular FormulaC51H75N3O3
Molecular Weight778.18 g/mol
Exact Mass777.58
IUPAC Name2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
SMILESCOc1c(Cc2nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)n2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C51H75N3O3/c1-46(2,3)34-22-31(43(55-19)37(28-34)49(10,11)12)25-40-52-41(26-32-23-35(47(4,5)6)29-38(44(32)56-20)50(13,14)15)54-42(53-40)27-33-24-36(48(7,8)9)30-39(45(33)57-21)51(16,17)18/h22-24,28-30H,25-27H2,1-21H3
InChIKeyAOZWSSNNZYACFJ-UHFFFAOYSA-N
XLogP12.45
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.18
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
(3,5-ditert-butyl-2-methoxyphenyl)methyl-[2-[(3,5-ditert-butyl-2-methoxyphenyl)methyl-dimethylazaniumyl]ethyl]-dimethylazanium;(2-methoxy-3-methylphenyl)methyl-[2-[(2-methoxy-3-methylphenyl)methyl-dimethylazaniumyl]ethyl]-dimethylazanium
CID 158678740
alumane;[2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate
CID 173022939
1,5-ditert-butyl-3-[[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy-oxidoazaniumyl]oxyphenyl]methyl]-2-[(2-methylpropan-2-yl)oxy-oxidoazaniumyl]oxybenzene
CID 163858849
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
2-(3,5-ditert-butyl-2-methoxyphenyl)-1-piperazin-2-ylethanone
CID 22104710
3-(3,5-ditert-butyl-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880782
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
1-N-butyl-1-N-[2-[4-tert-butyl-2-[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-6-(2,2-dimethylpropyl)phenoxy]ethyl]-3-methylbutane-1,3-diamine
CID 142944857
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine (CID 132609953) is 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine is COc1c(Cc2nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)nc(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OC)n2)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine?
The InChIKey is AOZWSSNNZYACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H75N3O3/c1-46(2,3)34-22-31(43(55-19)37(28-34)49(10,11)12)25-40-52-41(26-32-23-35(47(4,5)6)29-38(44(32)56-20)50(13,14)15)54-42(53-40)27-33-24-36(48(7,8)9)30-39(45(33)57-21)51(16,17)18/h22-24,28-30H,25-27H2,1-21H3.
What are the key properties of 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine?
2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine has a molecular weight of 778.18 g/mol, XLogP of 12.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine is sourced from PubChem (CID 132609953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).