2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine

C26H18N4 — CID 146569234

IUPAC2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3ncnc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H18N4/c1-3-7-19(8-4-1)22-15-23(20-11-13-27-14-12-20)17-24(16-22)26-29-18-28-25(30-26)21-9-5-2-6-10-21/h1-18H
InChIKeyCBZVTMCYCCYUNF-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.93
Rot. Bonds4

About 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine

2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 146569234) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID146569234
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3ncnc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H18N4/c1-3-7-19(8-4-1)22-15-23(20-11-13-27-14-12-20)17-24(16-22)26-29-18-28-25(30-26)21-9-5-2-6-10-21/h1-18H
InChIKeyCBZVTMCYCCYUNF-UHFFFAOYSA-N
XLogP5.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine (CID 146569234) is 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccncc3)cc(-c3ncnc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is CBZVTMCYCCYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c1-3-7-19(8-4-1)22-15-23(20-11-13-27-14-12-20)17-24(16-22)26-29-18-28-25(30-26)21-9-5-2-6-10-21/h1-18H.
What are the key properties of 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine?
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 386.46 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146569234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).