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

C48H32N6 — CID 164817190

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

2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 164817190) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 164817190
• Molecular Formula: C48H32N6
• Molecular Weight: 692.83 g/mol
• Exact Mass: 692.27
• IUPAC Name: 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1
• InChI: InChI=1S/C48H32N6/c1-4-15-33(16-5-1)38-31-44(42-23-12-13-30-49-42)51-45(32-38)43-25-14-24-41(50-43)35-28-26-34(27-29-35)39-21-10-11-22-40(39)48-53-46(36-17-6-2-7-18-36)52-47(54-48)37-19-8-3-9-20-37/h1-32H
• InChIKey: WXHVYLKVPACOLO-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-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine (CID 164817190) is 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4ccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)cc1.

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

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

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

2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]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-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 164817190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).