2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine

C65H46FN3 — CID 165149243

About 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine

2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 165149243) has the molecular formula C65H46FN3 and a molecular weight of 888.10 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
• PubChem CID: 165149243
• Molecular Formula: C65H46FN3
• Molecular Weight: 888.10 g/mol
• Exact Mass: 887.37
• IUPAC Name: 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
• SMILES: Fc1ccc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)c2)c1
• InChI: InChI=1S/C65H46FN3/c66-56-34-36-58(49-29-31-52(32-30-49)64-17-7-10-38-68-64)62(44-56)55-41-46(20-19-45-21-23-51(24-22-45)63-16-6-9-37-67-63)40-54(42-55)57-14-4-5-15-59(57)60-35-33-53(65-18-8-11-39-69-65)43-61(60)50-27-25-48(26-28-50)47-12-2-1-3-13-47/h1-18,21-44H,19-20H2
• InChIKey: CLDFJDLSEIDVHH-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.10
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine?

The IUPAC name of 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine (CID 165149243) is 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine is Fc1ccc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(CCc3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)c2)c1.

What is the InChIKey of 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine?

The InChIKey is CLDFJDLSEIDVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46FN3/c66-56-34-36-58(49-29-31-52(32-30-49)64-17-7-10-38-68-64)62(44-56)55-41-46(20-19-45-21-23-51(24-22-45)63-16-6-9-37-67-63)40-54(42-55)57-14-4-5-15-59(57)60-35-33-53(65-18-8-11-39-69-65)43-61(60)50-27-25-48(26-28-50)47-12-2-1-3-13-47/h1-18,21-44H,19-20H2.

What are the key properties of 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine?

2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 888.10 g/mol, XLogP of 16.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 165149243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).