2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

C51H33N9 — CID 58090480

IUPAC2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C51H33N9/c1-4-19-37(34(16-1)40-25-13-28-46(55-40)43-22-7-10-31-52-43)49-58-50(38-20-5-2-17-35(38)41-26-14-29-47(56-41)44-23-8-11-32-53-44)60-51(59-49)39-21-6-3-18-36(39)42-27-15-30-48(57-42)45-24-9-12-33-54-45/h1-33H
InChIKeyJKTOFUAALZGTBF-UHFFFAOYSA-N
MW771.89 g/mol
LogP11.24
Rot. Bonds9

About 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 58090480) has the molecular formula C51H33N9 and a molecular weight of 771.89 g/mol. Its IUPAC name is 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID58090480
Molecular FormulaC51H33N9
Molecular Weight771.89 g/mol
Exact Mass771.29
IUPAC Name2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C51H33N9/c1-4-19-37(34(16-1)40-25-13-28-46(55-40)43-22-7-10-31-52-43)49-58-50(38-20-5-2-17-35(38)41-26-14-29-47(56-41)44-23-8-11-32-53-44)60-51(59-49)39-21-6-3-18-36(39)42-27-15-30-48(57-42)45-24-9-12-33-54-45/h1-33H
InChIKeyJKTOFUAALZGTBF-UHFFFAOYSA-N
XLogP11.24
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.89
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (CID 58090480) is 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)nc(-c4ccccc4-c4cccc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is JKTOFUAALZGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N9/c1-4-19-37(34(16-1)40-25-13-28-46(55-40)43-22-7-10-31-52-43)49-58-50(38-20-5-2-17-35(38)41-26-14-29-47(56-41)44-23-8-11-32-53-44)60-51(59-49)39-21-6-3-18-36(39)42-27-15-30-48(57-42)45-24-9-12-33-54-45/h1-33H.
What are the key properties of 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 771.89 g/mol, XLogP of 11.24, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 58090480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).