4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C46H45FIrN2OSi-2 — CID 166577576

About 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 166577576) has the molecular formula C46H45FIrN2OSi-2 and a molecular weight of 881.18 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• PubChem CID: 166577576
• Molecular Formula: C46H45FIrN2OSi-2
• Molecular Weight: 881.18 g/mol
• Exact Mass: 881.29
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
• SMILES: CC(C)(c1ccnc(-c2[c-]cc3oc4cccc(-c5ccccc5F)c4c3c2)c1)C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C31H27FNO.C15H18NSi.Ir/c1-31(2,21-8-3-4-9-21)22-16-17-33-27(19-22)20-14-15-28-25(18-20)30-24(11-7-13-29(30)34-28)23-10-5-6-12-26(23)32;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5-7,10-13,15-19,21H,3-4,8-9H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: ZGDRTOIKLRGSKS-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.18
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 166577576) is 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is CC(C)(c1ccnc(-c2[c-]cc3oc4cccc(-c5ccccc5F)c4c3c2)c1)C1CCCC1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

The InChIKey is ZGDRTOIKLRGSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FNO.C15H18NSi.Ir/c1-31(2,21-8-3-4-9-21)22-16-17-33-27(19-22)20-14-15-28-25(18-20)30-24(11-7-13-29(30)34-28)23-10-5-6-12-26(23)32;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h5-7,10-13,15-19,21H,3-4,8-9H2,1-2H3;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?

4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 881.18 g/mol, XLogP of 12.12, 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-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166577576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).