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

C23H19N3 — CID 576224

IUPAC2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H19N3/c1-16-8-12-19(13-9-16)22-24-21(18-6-4-3-5-7-18)25-23(26-22)20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyTTZLSDJJPLRJHY-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.49
Rot. Bonds3

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

2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 576224) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID576224
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H19N3/c1-16-8-12-19(13-9-16)22-24-21(18-6-4-3-5-7-18)25-23(26-22)20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyTTZLSDJJPLRJHY-UHFFFAOYSA-N
XLogP5.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine (CID 576224) is 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is TTZLSDJJPLRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-16-8-12-19(13-9-16)22-24-21(18-6-4-3-5-7-18)25-23(26-22)20-14-10-17(2)11-15-20/h3-15H,1-2H3.
What are the key properties of 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 337.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 576224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).