5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

C73H64IrN3 — CID 165149152

About 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)

5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (PubChem CID 165149152) has the molecular formula C73H64IrN3 and a molecular weight of 1175.55 g/mol. Its IUPAC name is 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• PubChem CID: 165149152
• Molecular Formula: C73H64IrN3
• Molecular Weight: 1175.55 g/mol
• Exact Mass: 1175.47
• IUPAC Name: 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)
• SMILES: C[C@]1(c2ccc(-c3[c-]cccc3)nc2)CCCC[C@]1(C)c1cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc(-c3ccccc3)cc2)cc([C@@]2(C)CCCC[C@]2(C)c2ccc(-c3[c-]cccc3)nc2)c1.[Ir+3]
• InChI: InChI=1S/C73H64N3.Ir/c1-70(59-37-39-67(74-49-59)55-25-11-6-12-26-55)41-19-21-43-72(70,3)61-45-58(46-62(47-61)73(4)44-22-20-42-71(73,2)60-38-40-68(75-50-60)56-27-13-7-14-28-56)63-31-17-18-32-64(63)66-51-76-69(57-29-15-8-16-30-57)48-65(66)54-35-33-53(34-36-54)52-23-9-5-10-24-52;/h5-18,23-25,27,29,31-40,45-51H,19-22,41-44H2,1-4H3;/q-3;+3/t70-,71-,72-,73-;/m1./s1
• InChIKey: AIEMHSNOYGWNAV-SJBILVGWSA-N
• XLogP: 18.52
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.55
LogP ≤ 5	18.52
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[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) (CID 165149152) is 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+).

What is the SMILES notation for 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The canonical SMILES for 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is C[C@]1(c2ccc(-c3[c-]cccc3)nc2)CCCC[C@]1(C)c1cc(-c2ccccc2-c2cnc(-c3[c-]cccc3)cc2-c2ccc(-c3ccccc3)cc2)cc([C@@]2(C)CCCC[C@]2(C)c2ccc(-c3[c-]cccc3)nc2)c1.[Ir+3].

What is the InChIKey of 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

The InChIKey is AIEMHSNOYGWNAV-SJBILVGWSA-N. The full InChI is InChI=1S/C73H64N3.Ir/c1-70(59-37-39-67(74-49-59)55-25-11-6-12-26-55)41-19-21-43-72(70,3)61-45-58(46-62(47-61)73(4)44-22-20-42-71(73,2)60-38-40-68(75-50-60)56-27-13-7-14-28-56)63-31-17-18-32-64(63)66-51-76-69(57-29-15-8-16-30-57)48-65(66)54-35-33-53(34-36-54)52-23-9-5-10-24-52;/h5-18,23-25,27,29,31-40,45-51H,19-22,41-44H2,1-4H3;/q-3;+3/t70-,71-,72-,73-;/m1./s1.

What are the key properties of 5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+)?

5-[2-[3,5-bis[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) has a molecular weight of 1175.55 g/mol, XLogP of 18.52, 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[(1R,2S)-1,2-dimethyl-2-(6-phenyl-3-pyridinyl)cyclohexyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine;iridium(3+) is sourced from PubChem (CID 165149152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).