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

C67H48F4IrN3 — CID 165149210

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

5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (PubChem CID 165149210) has the molecular formula C67H48F4IrN3 and a molecular weight of 1163.35 g/mol. Its IUPAC name is 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• PubChem CID: 165149210
• Molecular Formula: C67H48F4IrN3
• Molecular Weight: 1163.35 g/mol
• Exact Mass: 1163.34
• IUPAC Name: 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• SMILES: FC1(F)CC(c2ccc(-c3[c-]cccc3)nc2)C(c2cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc(-c4ccccc4)cc3)cc(C3CC(F)(F)CC3c3ccc(-c4[c-]cccc4)nc3)c2)C1.[Ir+3]
• InChI: InChI=1S/C67H48F4N3.Ir/c68-66(69)37-58(50-29-31-63(72-41-50)47-17-7-2-8-18-47)60(39-66)53-33-52(34-54(35-53)61-40-67(70,71)38-59(61)51-30-32-64(73-42-51)48-19-9-3-10-20-48)55-23-13-14-24-56(55)62-43-74-65(49-21-11-4-12-22-49)36-57(62)46-27-25-45(26-28-46)44-15-5-1-6-16-44;/h1-17,19,21,23-36,41-43,58-61H,37-40H2;/q-3;+3
• InChIKey: FYSPYJOKOMZXID-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.35
LogP ≤ 5	17.53
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[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (CID 165149210) is 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

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

The canonical SMILES for 5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is FC1(F)CC(c2ccc(-c3[c-]cccc3)nc2)C(c2cc(-c3ccccc3-c3cnc(-c4[c-]cccc4)cc3-c3ccc(-c4ccccc4)cc3)cc(C3CC(F)(F)CC3c3ccc(-c4[c-]cccc4)nc3)c2)C1.[Ir+3].

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

The InChIKey is FYSPYJOKOMZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48F4N3.Ir/c68-66(69)37-58(50-29-31-63(72-41-50)47-17-7-2-8-18-47)60(39-66)53-33-52(34-54(35-53)61-40-67(70,71)38-59(61)51-30-32-64(73-42-51)48-19-9-3-10-20-48)55-23-13-14-24-56(55)62-43-74-65(49-21-11-4-12-22-49)36-57(62)46-27-25-45(26-28-46)44-15-5-1-6-16-44;/h1-17,19,21,23-36,41-43,58-61H,37-40H2;/q-3;+3.

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

5-[2-[3,5-bis[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) has a molecular weight of 1163.35 g/mol, XLogP of 17.53, 11 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[4,4-difluoro-2-(6-phenyl-3-pyridinyl)cyclopentyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is sourced from PubChem (CID 165149210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).