5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine

C73H51N5 — CID 153458018

About 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine

5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine (PubChem CID 153458018) has the molecular formula C73H51N5 and a molecular weight of 998.25 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
• PubChem CID: 153458018
• Molecular Formula: C73H51N5
• Molecular Weight: 998.25 g/mol
• Exact Mass: 997.41
• IUPAC Name: 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
• SMILES: Cn1ccnc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4nccn4C)cc3)cc(-c3ccccc3-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc3)c2)cc1
• InChI: InChI=1S/C73H51N5/c1-77-40-38-74-72(77)50-30-26-48(27-31-50)59-16-3-6-19-62(59)56-43-57(63-20-7-4-17-60(63)49-28-32-51(33-29-49)73-75-39-41-78(73)2)45-58(44-56)64-21-8-5-18-61(64)55-35-37-71(76-47-55)54-15-13-14-52(42-54)53-34-36-69-67-24-10-9-22-65(67)66-23-11-12-25-68(66)70(69)46-53/h3-47H,1-2H3
• InChIKey: ALCSXMMCMPAZJK-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.25
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine?

The IUPAC name of 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine (CID 153458018) is 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine.

What is the SMILES notation for 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine?

The canonical SMILES for 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine is Cn1ccnc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4nccn4C)cc3)cc(-c3ccccc3-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc3)c2)cc1.

What is the InChIKey of 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine?

The InChIKey is ALCSXMMCMPAZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N5/c1-77-40-38-74-72(77)50-30-26-48(27-31-50)59-16-3-6-19-62(59)56-43-57(63-20-7-4-17-60(63)49-28-32-51(33-29-49)73-75-39-41-78(73)2)45-58(44-56)64-21-8-5-18-61(64)55-35-37-71(76-47-55)54-15-13-14-52(42-54)53-34-36-69-67-24-10-9-22-65(67)66-23-11-12-25-68(66)70(69)46-53/h3-47H,1-2H3.

What are the key properties of 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine?

5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine has a molecular weight of 998.25 g/mol, XLogP of 18.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine is sourced from PubChem (CID 153458018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).