4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C47H47FGeIrN2O-2 — CID 166576531

About 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166576531) has the molecular formula C47H47FGeIrN2O-2 and a molecular weight of 939.73 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166576531
• Molecular Formula: C47H47FGeIrN2O-2
• Molecular Weight: 939.73 g/mol
• Exact Mass: 941.25
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2cc(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]c3oc4ccccc4c23)cc(C)c1F.[Ir]
• InChI: InChI=1S/C33H31FNO.C14H16GeN.Ir/c1-20-15-22(16-21(2)32(20)34)27-17-23(18-30-31(27)26-11-7-8-12-29(26)36-30)28-19-25(13-14-35-28)33(3,4)24-9-5-6-10-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-8,11-17,19,24H,5-6,9-10H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: RULFKUFDEIPNCH-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.73
LogP ≤ 5	12.43
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 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166576531) is 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2cc(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]c3oc4ccccc4c23)cc(C)c1F.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is RULFKUFDEIPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FNO.C14H16GeN.Ir/c1-20-15-22(16-21(2)32(20)34)27-17-23(18-30-31(27)26-11-7-8-12-29(26)36-30)28-19-25(13-14-35-28)33(3,4)24-9-5-6-10-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-8,11-17,19,24H,5-6,9-10H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 939.73 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166576531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).