2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine

C48H32N6 — CID 163452387

About 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 163452387) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 163452387
• Molecular Formula: C48H32N6
• Molecular Weight: 692.83 g/mol
• Exact Mass: 692.27
• IUPAC Name: 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1
• InChI: InChI=1S/C48H32N6/c1-4-12-35(13-5-1)43-32-44(51-48(50-43)42-21-11-19-40(31-42)34-26-28-49-29-27-34)41-20-10-18-39(30-41)33-22-24-38(25-23-33)47-53-45(36-14-6-2-7-15-36)52-46(54-47)37-16-8-3-9-17-37/h1-32H
• InChIKey: ZDGGIAJUUKPXFB-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.83
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine (CID 163452387) is 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is ZDGGIAJUUKPXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-4-12-35(13-5-1)43-32-44(51-48(50-43)42-21-11-19-40(31-42)34-26-28-49-29-27-34)41-20-10-18-39(30-41)33-22-24-38(25-23-33)47-53-45(36-14-6-2-7-15-36)52-46(54-47)37-16-8-3-9-17-37/h1-32H.

What are the key properties of 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 692.83 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163452387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).