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

C28H23N3 — CID 163483032

IUPAC6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
SMILESCc1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C28H23N3/c1-21-12-14-24(15-13-21)27-20-31(26-10-6-3-7-11-26)28(30-29-27)25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3
InChIKeyCGFCRNMANFORIA-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.33
Rot. Bonds4

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

6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine (PubChem CID 163483032) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
PubChem CID163483032
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
SMILESCc1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C28H23N3/c1-21-12-14-24(15-13-21)27-20-31(26-10-6-3-7-11-26)28(30-29-27)25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3
InChIKeyCGFCRNMANFORIA-UHFFFAOYSA-N
XLogP6.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 174881000
ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
CID 91231324
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 616747
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
2,3-bis(4-methylphenyl)-5-phenyl-2,4-dihydroimidazole
CID 101391310
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine?
The IUPAC name of 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine (CID 163483032) is 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine.
What is the SMILES notation for 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine?
The canonical SMILES for 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine is Cc1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine?
The InChIKey is CGFCRNMANFORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-21-12-14-24(15-13-21)27-20-31(26-10-6-3-7-11-26)28(30-29-27)25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3.
What are the key properties of 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine?
6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine has a molecular weight of 401.51 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine is sourced from PubChem (CID 163483032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).