2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol

C33H39N3O2 — CID 169098756

IUPAC2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC(C)(C)CC(C)(C)C)cc3O)n2)c(C)c1
InChIInChI=1S/C33H39N3O2/c1-20-10-13-25(22(3)16-20)29-34-30(26-14-11-21(2)17-23(26)4)36-31(35-29)27-15-12-24(18-28(27)37)38-33(8,9)19-32(5,6)7/h10-18,37H,19H2,1-9H3
InChIKeyLZCPLJXGZYZREF-UHFFFAOYSA-N
MW509.69 g/mol
LogP8.41
Rot. Bonds6

About 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol (PubChem CID 169098756) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol.

Molecular Properties

Compound Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
PubChem CID169098756
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC(C)(C)CC(C)(C)C)cc3O)n2)c(C)c1
InChIInChI=1S/C33H39N3O2/c1-20-10-13-25(22(3)16-20)29-34-30(26-14-11-21(2)17-23(26)4)36-31(35-29)27-15-12-24(18-28(27)37)38-33(8,9)19-32(5,6)7/h10-18,37H,19H2,1-9H3
InChIKeyLZCPLJXGZYZREF-UHFFFAOYSA-N
XLogP8.41
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane;methane
CID 159882082
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
CID 177221556
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol;prop-2-en-1-one;uranium(2+)
CID 163627714
methane;2-methoxyethyl 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158424469
3-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 70403468
2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
CID 135708096

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol?
The IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol (CID 169098756) is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol.
What is the SMILES notation for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol?
The canonical SMILES for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC(C)(C)CC(C)(C)C)cc3O)n2)c(C)c1.
What is the InChIKey of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol?
The InChIKey is LZCPLJXGZYZREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-20-10-13-25(22(3)16-20)29-34-30(26-14-11-21(2)17-23(26)4)36-31(35-29)27-15-12-24(18-28(27)37)38-33(8,9)19-32(5,6)7/h10-18,37H,19H2,1-9H3.
What are the key properties of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol?
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol has a molecular weight of 509.69 g/mol, XLogP of 8.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol is sourced from PubChem (CID 169098756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).