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

C23H19N3 — CID 123624299

IUPAC2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C23H19N3/c1-16-13-14-20(15-17(16)2)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyPTMXTWGQPPJUBD-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.49
Rot. Bonds3

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

2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 123624299) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID123624299
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C23H19N3/c1-16-13-14-20(15-17(16)2)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyPTMXTWGQPPJUBD-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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Related Compounds

2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 118404990
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 138549634
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 123624299) is 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PTMXTWGQPPJUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-16-13-14-20(15-17(16)2)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19/h3-15H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3,4-dimethylphenyl)-4,6-diphenyl-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-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 123624299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).