2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine

C32H37N3O4 — CID 90444910

IUPAC2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCOc1cc(C)c(-c2nc(-c3cc(C)c(OC)c(C)c3OC)nc(-c3c(C)cc(C)cc3C)n2)c(OC)c1C
InChIInChI=1S/C32H37N3O4/c1-16-12-17(2)25(18(3)13-16)31-33-30(23-14-20(5)27(37-9)22(7)28(23)38-10)34-32(35-31)26-19(4)15-24(36-8)21(6)29(26)39-11/h12-15H,1-11H3
InChIKeyHXOFMHVOGHWKIY-UHFFFAOYSA-N
MW527.67 g/mol
LogP7.07
Rot. Bonds7

About 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine

2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine (PubChem CID 90444910) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
PubChem CID90444910
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC Name2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCOc1cc(C)c(-c2nc(-c3cc(C)c(OC)c(C)c3OC)nc(-c3c(C)cc(C)cc3C)n2)c(OC)c1C
InChIInChI=1S/C32H37N3O4/c1-16-12-17(2)25(18(3)13-16)31-33-30(23-14-20(5)27(37-9)22(7)28(23)38-10)34-32(35-31)26-19(4)15-24(36-8)21(6)29(26)39-11/h12-15H,1-11H3
InChIKeyHXOFMHVOGHWKIY-UHFFFAOYSA-N
XLogP7.07
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-methoxy-1,4,6-trimethylnaphthalene
CID 23166352
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
CID 129115928
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile
CID 116862722
2-(4-methoxy-2,3,6-trimethylphenyl)-4,5-dimethyl-1,3-thiazole
CID 116887692
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
CID 10271246

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine (CID 90444910) is 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine is COc1cc(C)c(-c2nc(-c3cc(C)c(OC)c(C)c3OC)nc(-c3c(C)cc(C)cc3C)n2)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The InChIKey is HXOFMHVOGHWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-16-12-17(2)25(18(3)13-16)31-33-30(23-14-20(5)27(37-9)22(7)28(23)38-10)34-32(35-31)26-19(4)15-24(36-8)21(6)29(26)39-11/h12-15H,1-11H3.
What are the key properties of 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine has a molecular weight of 527.67 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3,5-dimethylphenyl)-4-(2,4-dimethoxy-3,6-dimethylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 90444910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).