4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine

C42H28N6 — CID 15788654

About 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine

4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 15788654) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
• PubChem CID: 15788654
• Molecular Formula: C42H28N6
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.24
• IUPAC Name: 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccn6)n5)n4)n3)c2)cc1
• InChI: InChI=1S/C42H28N6/c1-3-13-29(14-4-1)31-25-39(33-17-7-9-23-43-33)47-41(27-31)37-21-11-19-35(45-37)36-20-12-22-38(46-36)42-28-32(30-15-5-2-6-16-30)26-40(48-42)34-18-8-10-24-44-34/h1-28H
• InChIKey: OYIQLNBREDWXDR-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.73
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine?

The IUPAC name of 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 15788654) is 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine.

What is the SMILES notation for 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine?

The canonical SMILES for 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccn6)n5)n4)n3)c2)cc1.

What is the InChIKey of 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine?

The InChIKey is OYIQLNBREDWXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6/c1-3-13-29(14-4-1)31-25-39(33-17-7-9-23-43-33)47-41(27-31)37-21-11-19-35(45-37)36-20-12-22-38(46-36)42-28-32(30-15-5-2-6-16-30)26-40(48-42)34-18-8-10-24-44-34/h1-28H.

What are the key properties of 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine?

4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 616.73 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 15788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).