3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine

C58H40N2 — CID 126704951

About 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine

3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 126704951) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
• PubChem CID: 126704951
• Molecular Formula: C58H40N2
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.32
• IUPAC Name: 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7cc(-c8cccnc8)cc(-c8cccnc8)c7)c6)c5)c4)c3)cc2)cc1
• InChI: InChI=1S/C58H40N2/c1-3-12-41(13-4-1)43-24-26-44(27-25-43)45-16-7-17-46(30-45)47-18-8-19-48(31-47)49-20-9-21-50(32-49)54-33-53(42-14-5-2-6-15-42)34-57(35-54)58-37-55(51-22-10-28-59-39-51)36-56(38-58)52-23-11-29-60-40-52/h1-40H
• InChIKey: CICYRYDEQKTPTI-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine?

The IUPAC name of 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine (CID 126704951) is 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine.

What is the SMILES notation for 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine?

The canonical SMILES for 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine is c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7cc(-c8cccnc8)cc(-c8cccnc8)c7)c6)c5)c4)c3)cc2)cc1.

What is the InChIKey of 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine?

The InChIKey is CICYRYDEQKTPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-12-41(13-4-1)43-24-26-44(27-25-43)45-16-7-17-46(30-45)47-18-8-19-48(31-47)49-20-9-21-50(32-49)54-33-53(42-14-5-2-6-15-42)34-57(35-54)58-37-55(51-22-10-28-59-39-51)36-56(38-58)52-23-11-29-60-40-52/h1-40H.

What are the key properties of 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine?

3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 764.97 g/mol, XLogP of 15.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 126704951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).