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

C33H32N4OS — CID 153280230

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1cc(C)c(-c2nc(-c3cc(Sc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C33H32N4OS/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
InChIKeyYJMOWGVEKZVYFJ-UHFFFAOYSA-N
MW532.71 g/mol
LogP8.35
Rot. Bonds5

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

2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 153280230) has the molecular formula C33H32N4OS and a molecular weight of 532.71 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID153280230
Molecular FormulaC33H32N4OS
Molecular Weight532.71 g/mol
Exact Mass532.23
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1cc(C)c(-c2nc(-c3cc(Sc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C33H32N4OS/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
InChIKeyYJMOWGVEKZVYFJ-UHFFFAOYSA-N
XLogP8.35
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.71
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280248
2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
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-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
CID 153304036
2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylphenyl)pyrimidin-2-yl]phenol
CID 153280198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
CID 153280568
2-[3,6-ditert-butyl-2-(3-pyridin-2-ylsulfanylphenyl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590193
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
2-[4-[3-tert-butyl-5-(6-tert-butylquinolin-8-yl)phenyl]-6-methyl-1,3-benzoxazol-2-yl]phenol
CID 177110250
4-methyl-6-(4-methylphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 2725934

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol (CID 153280230) is 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-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-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol is Cc1cc(C)c(-c2nc(-c3cc(Sc4ccccn4)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-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is YJMOWGVEKZVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4OS/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-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 532.71 g/mol, XLogP of 8.35, 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-ylsulfanylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).