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

C32H38N4O2 — CID 153280476

IUPAC2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc(-c3cccc(Oc4ccccn4)c3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H38N4O2/c1-30(2,3)21-18-23(26(37)24(19-21)31(4,5)6)28-34-27(35-29(36-28)32(7,8)9)20-13-12-14-22(17-20)38-25-15-10-11-16-33-25/h10-19,37H,1-9H3
InChIKeyJTWRWSGKIGJCMH-UHFFFAOYSA-N
MW510.68 g/mol
LogP7.99
Rot. Bonds4

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

2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 153280476) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID153280476
Molecular FormulaC32H38N4O2
Molecular Weight510.68 g/mol
Exact Mass510.30
IUPAC Name2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc(-c3cccc(Oc4ccccn4)c3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H38N4O2/c1-30(2,3)21-18-23(26(37)24(19-21)31(4,5)6)28-34-27(35-29(36-28)32(7,8)9)20-13-12-14-22(17-20)38-25-15-10-11-16-33-25/h10-19,37H,1-9H3
InChIKeyJTWRWSGKIGJCMH-UHFFFAOYSA-N
XLogP7.99
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[4-tert-butyl-6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-1,3,5-triazin-2-yl]phenol;platinum
CID 153280503
2,4-ditert-butyl-6-[3-methyl-4-phenyl-5-(3-pyridin-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]phenol
CID 177268254
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 153304201
2-[4-(3-tert-butyl-5-pyridin-2-yloxyphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280248
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-phenylphenol;titanium
CID 175919247
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280578
2,4-ditert-butyl-6-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol (CID 153280476) is 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol is CC(C)(C)c1cc(-c2nc(-c3cccc(Oc4ccccn4)c3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is JTWRWSGKIGJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2/c1-30(2,3)21-18-23(26(37)24(19-21)31(4,5)6)28-34-27(35-29(36-28)32(7,8)9)20-13-12-14-22(17-20)38-25-15-10-11-16-33-25/h10-19,37H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol?
2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 510.68 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153280476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).