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

C30H33N3O — CID 177221556

IUPAC2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(CC(C)(C)C)cc3O)n2)c(C)c1
InChIInChI=1S/C30H33N3O/c1-18-8-11-23(20(3)14-18)27-31-28(24-12-9-19(2)15-21(24)4)33-29(32-27)25-13-10-22(16-26(25)34)17-30(5,6)7/h8-16,34H,17H2,1-7H3
InChIKeyFQVMUHIVQOYYLO-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.40
Rot. Bonds4

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

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol (PubChem CID 177221556) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
PubChem CID177221556
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(CC(C)(C)C)cc3O)n2)c(C)c1
InChIInChI=1S/C30H33N3O/c1-18-8-11-23(20(3)14-18)27-31-28(24-12-9-19(2)15-21(24)4)33-29(32-27)25-13-10-22(16-26(25)34)17-30(5,6)7/h8-16,34H,17H2,1-7H3
InChIKeyFQVMUHIVQOYYLO-UHFFFAOYSA-N
XLogP7.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 169098756
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
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-octoxyphenol
CID 161357419
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 126550804
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-cyclopropylphenol;2-methylpropane;pentane
CID 177221565
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol (CID 177221556) is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(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-(2,2-dimethylpropyl)phenol?
The InChIKey is FQVMUHIVQOYYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c1-18-8-11-23(20(3)14-18)27-31-28(24-12-9-19(2)15-21(24)4)33-29(32-27)25-13-10-22(16-26(25)34)17-30(5,6)7/h8-16,34H,17H2,1-7H3.
What are the key properties of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol?
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,2-dimethylpropyl)phenol has a molecular weight of 451.61 g/mol, XLogP of 7.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 177221556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).