2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine

C42H28N6 — CID 126730919

About 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine

2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine (PubChem CID 126730919) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
• PubChem CID: 126730919
• Molecular Formula: C42H28N6
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.24
• IUPAC Name: 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccc(-c4ccccn4)nc3)c2)nc1
• InChI: InChI=1S/C42H28N6/c1-5-19-43-36(9-1)35-24-32(23-33(25-35)31-17-18-40(47-28-31)37-10-2-6-20-44-37)29-13-15-30(16-14-29)34-26-41(38-11-3-7-21-45-38)48-42(27-34)39-12-4-8-22-46-39/h1-28H
• InChIKey: MJNSYRITJMMCOA-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 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine?

The IUPAC name of 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine (CID 126730919) is 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine.

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

The canonical SMILES for 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccc(-c4ccccn4)nc3)c2)nc1.

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

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

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

2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine 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 2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 126730919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).