4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol

C45H65N3O6 — CID 87204831

IUPAC4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(OC2=NCN(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)=N2)cc(C(C)(C)C)c1O
InChIInChI=1S/C45H65N3O6/c1-40(2,3)29-19-26(20-30(35(29)49)41(4,5)6)52-38-46-25-48(54-28-23-33(44(13,14)15)37(51)34(24-28)45(16,17)18)39(47-38)53-27-21-31(42(7,8)9)36(50)32(22-27)43(10,11)12/h19-24,49-51H,25H2,1-18H3
InChIKeyINVPAKDGRGSBLB-UHFFFAOYSA-N
MW744.03 g/mol
LogP11.03
Rot. Bonds4

About 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol

4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol (PubChem CID 87204831) has the molecular formula C45H65N3O6 and a molecular weight of 744.03 g/mol. Its IUPAC name is 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol
PubChem CID87204831
Molecular FormulaC45H65N3O6
Molecular Weight744.03 g/mol
Exact Mass743.49
IUPAC Name4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(OC2=NCN(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)=N2)cc(C(C)(C)C)c1O
InChIInChI=1S/C45H65N3O6/c1-40(2,3)29-19-26(20-30(35(29)49)41(4,5)6)52-38-46-25-48(54-28-23-33(44(13,14)15)37(51)34(24-28)45(16,17)18)39(47-38)53-27-21-31(42(7,8)9)36(50)32(22-27)43(10,11)12/h19-24,49-51H,25H2,1-18H3
InChIKeyINVPAKDGRGSBLB-UHFFFAOYSA-N
XLogP11.03
TPSA116.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.03
LogP ≤ 511.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
CID 22163155
(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
CID 5134279
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
(3,5-ditert-butyl-4-hydroxyphenyl) dihydrogen phosphate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 88821068
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,5-triazinan-1-yl]-2,6-ditert-butylphenol
CID 141047471
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470

Frequently Asked Questions

What is the IUPAC name of 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol?
The IUPAC name of 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol (CID 87204831) is 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol is CC(C)(C)c1cc(OC2=NCN(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)=N2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol?
The InChIKey is INVPAKDGRGSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H65N3O6/c1-40(2,3)29-19-26(20-30(35(29)49)41(4,5)6)52-38-46-25-48(54-28-23-33(44(13,14)15)37(51)34(24-28)45(16,17)18)39(47-38)53-27-21-31(42(7,8)9)36(50)32(22-27)43(10,11)12/h19-24,49-51H,25H2,1-18H3.
What are the key properties of 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol?
4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol has a molecular weight of 744.03 g/mol, XLogP of 11.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,6-bis(3,5-ditert-butyl-4-hydroxyphenoxy)-2H-1,3,5-triazin-4-yl]oxy]-2,6-ditert-butylphenol is sourced from PubChem (CID 87204831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).