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

C64H44N2 — CID 153434547

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

2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 153434547) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
• PubChem CID: 153434547
• Molecular Formula: C64H44N2
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.35
• IUPAC Name: 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cccc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4cccc(-c5ccccc5)c4)c3)c2)cc1
• InChI: InChI=1S/C64H44N2/c1-3-18-45(19-4-1)47-22-15-26-51(40-47)61-43-53(63-32-11-13-38-65-63)34-36-59(61)57-30-9-7-28-55(57)49-24-17-25-50(42-49)56-29-8-10-31-58(56)60-37-35-54(64-33-12-14-39-66-64)44-62(60)52-27-16-23-48(41-52)46-20-5-2-6-21-46/h1-44H
• InChIKey: FZNHOSVBUQGARH-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine (CID 153434547) is 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine.

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

The canonical SMILES for 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine is c1ccc(-c2cccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cccc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4cccc(-c5ccccc5)c4)c3)c2)cc1.

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

The InChIKey is FZNHOSVBUQGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-18-45(19-4-1)47-22-15-26-51(40-47)61-43-53(63-32-11-13-38-65-63)34-36-59(61)57-30-9-7-28-55(57)49-24-17-25-50(42-49)56-29-8-10-31-58(56)60-37-35-54(64-33-12-14-39-66-64)44-62(60)52-27-16-23-48(41-52)46-20-5-2-6-21-46/h1-44H.

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

2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 841.07 g/mol, XLogP of 17.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 153434547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).