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

C27H27N3 — CID 22475988

IUPAC2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C27H27N3/c1-16-7-10-22(19(4)13-16)25-28-26(23-11-8-17(2)14-20(23)5)30-27(29-25)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKeyLIQXXKWZQWSIBQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.72
Rot. Bonds3

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

2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine (PubChem CID 22475988) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine
PubChem CID22475988
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C27H27N3/c1-16-7-10-22(19(4)13-16)25-28-26(23-11-8-17(2)14-20(23)5)30-27(29-25)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKeyLIQXXKWZQWSIBQ-UHFFFAOYSA-N
XLogP6.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Kyaphenine
CID 10305
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
CID 76757
6-(2,4-dimethylphenyl)-1,3,5-Triazine-2,4-diamine
CID 25163924
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
Tris-biphenyl triazine
CID 11628027
4-(3,4-Dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645164
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
CID 30851
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine (CID 22475988) is 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine?
The InChIKey is LIQXXKWZQWSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-16-7-10-22(19(4)13-16)25-28-26(23-11-8-17(2)14-20(23)5)30-27(29-25)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3.
What are the key properties of 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine?
2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine has a molecular weight of 393.53 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4-dimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 22475988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).