4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine

C40H26N8 — CID 171935887

About 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine

4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 171935887) has the molecular formula C40H26N8 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
• PubChem CID: 171935887
• Molecular Formula: C40H26N8
• Molecular Weight: 618.70 g/mol
• Exact Mass: 618.23
• IUPAC Name: 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)n4)n3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C40H26N8/c1-5-19-41-31(11-1)37-23-27(24-38(47-37)32-12-2-6-20-42-32)29-15-9-17-35(45-29)36-18-10-16-30(46-36)28-25-39(33-13-3-7-21-43-33)48-40(26-28)34-14-4-8-22-44-34/h1-26H
• InChIKey: YLLQTUIYFGVZFM-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.70
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine (CID 171935887) is 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine.

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

The canonical SMILES for 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)n4)n3)cc(-c3ccccn3)n2)nc1.

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

The InChIKey is YLLQTUIYFGVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8/c1-5-19-41-31(11-1)37-23-27(24-38(47-37)32-12-2-6-20-42-32)29-15-9-17-35(45-29)36-18-10-16-30(46-36)28-25-39(33-13-3-7-21-43-33)48-40(26-28)34-14-4-8-22-44-34/h1-26H.

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

4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 618.70 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 171935887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).