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

C52H34N8 — CID 164816777

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

2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164816777) has the molecular formula C52H34N8 and a molecular weight of 770.90 g/mol. Its IUPAC name is 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 164816777
• Molecular Formula: C52H34N8
• Molecular Weight: 770.90 g/mol
• Exact Mass: 770.29
• IUPAC Name: 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)n3)nc(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C52H34N8/c1-6-18-35(19-7-1)40-32-46(42-29-16-30-43(54-42)52-59-50(38-24-12-4-13-25-38)58-51(60-52)39-26-14-5-15-27-39)55-47(33-40)48-41(28-17-31-53-48)45-34-44(36-20-8-2-9-21-36)56-49(57-45)37-22-10-3-11-23-37/h1-34H
• InChIKey: MRKYAFGBBCLVLI-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.90
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine (CID 164816777) is 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)n3)nc(-c3ncccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

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

The InChIKey is MRKYAFGBBCLVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N8/c1-6-18-35(19-7-1)40-32-46(42-29-16-30-43(54-42)52-59-50(38-24-12-4-13-25-38)58-51(60-52)39-26-14-5-15-27-39)55-47(33-40)48-41(28-17-31-53-48)45-34-44(36-20-8-2-9-21-36)56-49(57-45)37-22-10-3-11-23-37/h1-34H.

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

2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 770.90 g/mol, XLogP of 11.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164816777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).