2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol

C33H32N4O2 — CID 153280248

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1cc(C)c(-c2nc(-c3cc(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C33H32N4O2/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28/h7-19,38H,1-6H3
InChIKeyOJPUVZBTRNARRI-UHFFFAOYSA-N
MW516.65 g/mol
LogP7.99
Rot. Bonds5

About 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol

2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 153280248) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID153280248
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1cc(C)c(-c2nc(-c3cc(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C33H32N4O2/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28/h7-19,38H,1-6H3
InChIKeyOJPUVZBTRNARRI-UHFFFAOYSA-N
XLogP7.99
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280230
2-[4-(3,5-ditert-butylphenyl)-6-(3-naphthalen-1-yl-5-pyridin-2-yloxyphenyl)pyrimidin-2-yl]phenol
CID 153280266
2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280476
2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
CID 153280372
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
CID 90899440
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)pyrimidin-2-yl]phenol;platinum
CID 153280348
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol (CID 153280248) is 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol is Cc1cc(C)c(-c2nc(-c3cc(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.
What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is OJPUVZBTRNARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28/h7-19,38H,1-6H3.
What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 516.65 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153280248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).