4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol

C33H39N3O6 — CID 22165762

IUPAC4-[[4,6-bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol
SMILESCC(C)(C)C1=C(C=CC(=C1)OC2=NC(=NC(=N2)OC3=CC(=C(C=C3)O)C(C)(C)C)OC4=CC(=C(C=C4)O)C(C)(C)C)O
InChIInChI=1S/C33H39N3O6/c1-31(2,3)22-16-19(10-13-25(22)37)40-28-34-29(41-20-11-14-26(38)23(17-20)32(4,5)6)36-30(35-28)42-21-12-15-27(39)24(18-21)33(7,8)9/h10-18,37-39H,1-9H3
InChIKeyPSGGPRGRQNURSQ-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.50
Rot. Bonds9

About 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol

4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol (PubChem CID 22165762) has the molecular formula C33H39N3O6 and a molecular weight of 573.70 g/mol. Its IUPAC name is 4-[[4,6-bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol.

Molecular Properties

Compound Name4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol
PubChem CID22165762
Molecular FormulaC33H39N3O6
Molecular Weight573.70 g/mol
Exact Mass573.28
IUPAC Name4-[[4,6-bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol
SMILESCC(C)(C)C1=C(C=CC(=C1)OC2=NC(=NC(=N2)OC3=CC(=C(C=C3)O)C(C)(C)C)OC4=CC(=C(C=C4)O)C(C)(C)C)O
InChIInChI=1S/C33H39N3O6/c1-31(2,3)22-16-19(10-13-25(22)37)40-28-34-29(41-20-11-14-26(38)23(17-20)32(4,5)6)36-30(35-28)42-21-12-15-27(39)24(18-21)33(7,8)9/h10-18,37-39H,1-9H3
InChIKeyPSGGPRGRQNURSQ-UHFFFAOYSA-N
XLogP9.50
TPSA127.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity733

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-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

4,4'-((6-(Octylthio)-1,3,5-triazine-2,4-diyl)bis(oxy))bis(2,6-di-tert-butylphenol)
CID 70433
2,4,6-Tris(2-propan-2-ylphenoxy)-1,3,5-triazine
CID 1822393
Phenol, 2,2',2''-[1,3,5-triazine-2,4,6-triyltris[oxy[3-(1,1-dimethylethyl)-5-methyl-2,1-phenylene]methylene]]tris[6-(1,1-dimethylethyl)-4-methyl-
CID 20556676
2,4,6-Tris(4-tert-butylphenoxy)-1,3,5-triazine
CID 260085
2,4,6-Tris(2-methylphenoxy)-1,3,5-triazine
CID 14044292
2,4,6-Tris(3,5-di-t-butylphenoxy)-1,3,5-triazine
CID 57137559
2,4,6-Tris(3,4-dimethylphenoxy)-1,3,5-triazine
CID 129777078
p,p',p''-(1,3,5-Triazine-2,4,6-triyltris(oxy-4,1-phenyleneisopropylidene))trisphenol
CID 56842968
2,4,6-Tris(4-tert-butyl-2-methylphenoxy)-1,3,5-triazine
CID 4289842
2,4,6-Tris(3-methylphenoxy)-1,3,5-triazine
CID 15972
Tris-(m-hydroxybenzyl) cyanurate
CID 129727570
4-((4-Chloro-6-(3-hydroxyphenoxy)-1,3,5-triazin-2-yl)-oxy)-naphthalen-1-ol
CID 129856691

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol?
The IUPAC name of 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol (CID 22165762) is 4-[[4,6-bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol.
What is the SMILES notation for 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol?
The canonical SMILES for 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol is CC(C)(C)C1=C(C=CC(=C1)OC2=NC(=NC(=N2)OC3=CC(=C(C=C3)O)C(C)(C)C)OC4=CC(=C(C=C4)O)C(C)(C)C)O.
What is the InChIKey of 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol?
The InChIKey is PSGGPRGRQNURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O6/c1-31(2,3)22-16-19(10-13-25(22)37)40-28-34-29(41-20-11-14-26(38)23(17-20)32(4,5)6)36-30(35-28)42-21-12-15-27(39)24(18-21)33(7,8)9/h10-18,37-39H,1-9H3.
What are the key properties of 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol?
4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol has a molecular weight of 573.70 g/mol, XLogP of 9.50, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol is sourced from PubChem (CID 22165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).