4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol

C48H69N3O6 — CID 15140003

IUPAC4-[[4,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC2=NC(=NC(=N2)OCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)OCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChIInChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-55-40-49-41(56-26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)51-42(50-40)57-27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
InChIKeyRLPDTLIWXFZHTL-UHFFFAOYSA-N
MW784.10 g/mol
LogP14.30
Rot. Bonds15

About 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol

4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol (PubChem CID 15140003) has the molecular formula C48H69N3O6 and a molecular weight of 784.10 g/mol. Its IUPAC name is 4-[[4,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol
PubChem CID15140003
Molecular FormulaC48H69N3O6
Molecular Weight784.10 g/mol
Exact Mass783.52
IUPAC Name4-[[4,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC2=NC(=NC(=N2)OCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)OCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChIInChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-55-40-49-41(56-26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)51-42(50-40)57-27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
InChIKeyRLPDTLIWXFZHTL-UHFFFAOYSA-N
XLogP14.30
TPSA127.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms57
Complexity1020

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.10
LogP ≤ 514.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
4-[3,5-Bis(4-hydroxyphenyl)phenyl]phenol;2,4,6-trimethoxy-1,3,5-triazine
CID 139196420
2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(oxy(3,5-dimethyl-2,1-phenylene)(3,5,5-trimethylhexylidene)))tris(4,6-xylenol)
CID 119057877
4-[[4,6-Bis[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 19750960
3-[[4,6-Bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-6-tert-butyl-2,4-dimethylphenol
CID 19934089
4-[[4,6-Bis(3-tert-butyl-4-hydroxy-5-methylphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butyl-6-methylphenol
CID 20492392
4-[2-[[4,6-Bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethoxy]-1,3,5-triazin-2-yl]oxy]ethyl]-2,6-ditert-butylphenol
CID 20495341
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]-2,6-diphenylphenol
CID 21325609
4-[[4,6-Bis(3,5-ditert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2,6-ditert-butylphenol
CID 22056755
4-[[4,6-Bis(3-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]-2-tert-butylphenol
CID 22165762

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol (CID 15140003) is 4-[[4,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol is CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC2=NC(=NC(=N2)OCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)OCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C.
What is the InChIKey of 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol?
The InChIKey is RLPDTLIWXFZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-55-40-49-41(56-26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)51-42(50-40)57-27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3.
What are the key properties of 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol?
4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol has a molecular weight of 784.10 g/mol, XLogP of 14.30, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 15140003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).