5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)

C75H48IrN3 — CID 153458738

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+) (PubChem CID 153458738) has the molecular formula C75H48IrN3 and a molecular weight of 1183.45 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
• PubChem CID: 153458738
• Molecular Formula: C75H48IrN3
• Molecular Weight: 1183.45 g/mol
• Exact Mass: 1183.35
• IUPAC Name: 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
• SMILES: [Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)cn1
• InChI: InChI=1S/C75H48N3.Ir/c1-5-20-52(21-6-1)53-36-38-54(39-37-53)58-28-19-29-59(44-58)71-48-75(57-26-11-4-12-27-57)78-51-72(71)70-35-18-17-34-69(70)64-46-62(67-32-15-13-30-65(67)60-40-42-73(76-49-60)55-22-7-2-8-23-55)45-63(47-64)68-33-16-14-31-66(68)61-41-43-74(77-50-61)56-24-9-3-10-25-56;/h1-22,24,26,28-51H;/q-3;+3
• InChIKey: JYNBAVUETQRCOE-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.45
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+) (CID 153458738) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+).

What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)?

The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+) is [Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c2)cn1.

What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)?

The InChIKey is JYNBAVUETQRCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N3.Ir/c1-5-20-52(21-6-1)53-36-38-54(39-37-53)58-28-19-29-59(44-58)71-48-75(57-26-11-4-12-27-57)78-51-72(71)70-35-18-17-34-69(70)64-46-62(67-32-15-13-30-65(67)60-40-42-73(76-49-60)55-22-7-2-8-23-55)45-63(47-64)68-33-16-14-31-66(68)61-41-43-74(77-50-61)56-24-9-3-10-25-56;/h1-22,24,26,28-51H;/q-3;+3.

What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)?

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+) has a molecular weight of 1183.45 g/mol, XLogP of 19.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+) is sourced from PubChem (CID 153458738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).