2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine

C69H45N9 — CID 171716143

About 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine

2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine (PubChem CID 171716143) has the molecular formula C69H45N9 and a molecular weight of 1000.18 g/mol. Its IUPAC name is 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine
• PubChem CID: 171716143
• Molecular Formula: C69H45N9
• Molecular Weight: 1000.18 g/mol
• Exact Mass: 999.38
• IUPAC Name: 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)cc(-c4ccc(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)c3)c(-c3ccccn3)c2-c2ccccn2)nc1
• InChI: InChI=1S/C69H45N9/c1-10-34-70-55(19-1)52-31-28-49(64(58-22-4-13-37-73-58)67(52)61-25-7-16-40-76-61)46-43-47(50-29-32-53(56-20-2-11-35-71-56)68(62-26-8-17-41-77-62)65(50)59-23-5-14-38-74-59)45-48(44-46)51-30-33-54(57-21-3-12-36-72-57)69(63-27-9-18-42-78-63)66(51)60-24-6-15-39-75-60/h1-45H
• InChIKey: KDVKEIHYOCPHJG-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.18
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine?

The IUPAC name of 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine (CID 171716143) is 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine.

What is the SMILES notation for 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine?

The canonical SMILES for 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)cc(-c4ccc(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)c3)c(-c3ccccn3)c2-c2ccccn2)nc1.

What is the InChIKey of 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine?

The InChIKey is KDVKEIHYOCPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N9/c1-10-34-70-55(19-1)52-31-28-49(64(58-22-4-13-37-73-58)67(52)61-25-7-16-40-76-61)46-43-47(50-29-32-53(56-20-2-11-35-71-56)68(62-26-8-17-41-77-62)65(50)59-23-5-14-38-74-59)45-48(44-46)51-30-33-54(57-21-3-12-36-72-57)69(63-27-9-18-42-78-63)66(51)60-24-6-15-39-75-60/h1-45H.

What are the key properties of 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine?

2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine has a molecular weight of 1000.18 g/mol, XLogP of 16.25, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis(2,3,4-tripyridin-2-ylphenyl)phenyl]-2,6-dipyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 171716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).