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

C24H21N3 — CID 14148361

IUPAC2,4,6-tris(2-methylphenyl)-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)n1
InChIInChI=1S/C24H21N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyJNNROCKOOVFDDU-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.80
Rot. Bonds3

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

2,4,6-tris(2-methylphenyl)-1,3,5-triazine (PubChem CID 14148361) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,4,6-tris(2-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methylphenyl)-1,3,5-triazine
PubChem CID14148361
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2,4,6-tris(2-methylphenyl)-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)n1
InChIInChI=1S/C24H21N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyJNNROCKOOVFDDU-UHFFFAOYSA-N
XLogP5.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methylphenyl)-1,3,5-triazine (CID 14148361) is 2,4,6-tris(2-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methylphenyl)-1,3,5-triazine is Cc1ccccc1-c1nc(-c2ccccc2C)nc(-c2ccccc2C)n1.
What is the InChIKey of 2,4,6-tris(2-methylphenyl)-1,3,5-triazine?
The InChIKey is JNNROCKOOVFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15H,1-3H3.
What are the key properties of 2,4,6-tris(2-methylphenyl)-1,3,5-triazine?
2,4,6-tris(2-methylphenyl)-1,3,5-triazine has a molecular weight of 351.45 g/mol, XLogP of 5.80, 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-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 14148361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).