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

C28H21N3 — CID 129023213

IUPAC2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C28H21N3/c1-20-15-17-23(18-16-20)27-29-26(22-11-6-3-7-12-22)30-28(31-27)25-14-8-13-24(19-25)21-9-4-2-5-10-21/h2-19H,1H3
InChIKeyXLBPTROLIQWFMK-UHFFFAOYSA-N
MW399.50 g/mol
LogP6.85
Rot. Bonds4

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

2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 129023213) has the molecular formula C28H21N3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID129023213
Molecular FormulaC28H21N3
Molecular Weight399.50 g/mol
Exact Mass399.17
IUPAC Name2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C28H21N3/c1-20-15-17-23(18-16-20)27-29-26(22-11-6-3-7-12-22)30-28(31-27)25-14-8-13-24(19-25)21-9-4-2-5-10-21/h2-19H,1H3
InChIKeyXLBPTROLIQWFMK-UHFFFAOYSA-N
XLogP6.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
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
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(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-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 129023213) is 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XLBPTROLIQWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3/c1-20-15-17-23(18-16-20)27-29-26(22-11-6-3-7-12-22)30-28(31-27)25-14-8-13-24(19-25)21-9-4-2-5-10-21/h2-19H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 399.50 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 129023213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).