2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

C69H61N5 — CID 165149093

About 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 165149093) has the molecular formula C69H61N5 and a molecular weight of 960.28 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
• PubChem CID: 165149093
• Molecular Formula: C69H61N5
• Molecular Weight: 960.28 g/mol
• Exact Mass: 959.49
• IUPAC Name: 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
• SMILES: c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(N7CCN(c8ccccc8)C7)cc6)cc(CCc6ccc(N7CCN(c8ccccc8)C7)cc6)c5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C69H61N5/c1-4-12-56(13-5-1)57-28-30-58(31-29-57)61-40-41-70-69(49-61)60-34-32-59(33-35-60)67-18-10-11-19-68(67)62-47-54(22-20-52-24-36-65(37-25-52)73-44-42-71(50-73)63-14-6-2-7-15-63)46-55(48-62)23-21-53-26-38-66(39-27-53)74-45-43-72(51-74)64-16-8-3-9-17-64/h1-19,24-41,46-49H,20-23,42-45,50-51H2
• InChIKey: KGSUTROSCMXUCU-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.28
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?

The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (CID 165149093) is 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(N7CCN(c8ccccc8)C7)cc6)cc(CCc6ccc(N7CCN(c8ccccc8)C7)cc6)c5)cc4)c3)cc2)cc1.

What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?

The InChIKey is KGSUTROSCMXUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61N5/c1-4-12-56(13-5-1)57-28-30-58(31-29-57)61-40-41-70-69(49-61)60-34-32-59(33-35-60)67-18-10-11-19-68(67)62-47-54(22-20-52-24-36-65(37-25-52)73-44-42-71(50-73)63-14-6-2-7-15-63)46-55(48-62)23-21-53-26-38-66(39-27-53)74-45-43-72(51-74)64-16-8-3-9-17-64/h1-19,24-41,46-49H,20-23,42-45,50-51H2.

What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?

2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 960.28 g/mol, XLogP of 15.56, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 165149093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).