4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane

C50H47FIrN2OSi-2 — CID 169039275

About 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane

4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane (PubChem CID 169039275) has the molecular formula C50H47FIrN2OSi-2 and a molecular weight of 931.24 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 169039275
• Molecular Formula: C50H47FIrN2OSi-2
• Molecular Weight: 931.24 g/mol
• Exact Mass: 931.31
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)(c1ccnc(-c2[c-]cc3oc4cc(-c5ccccc5)cc(F)c4c3c2)c1)C1CCCC1.Cc1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C31H27FNO.C19H20NSi.Ir/c1-31(2,23-10-6-7-11-23)24-14-15-33-27(19-24)21-12-13-28-25(16-21)30-26(32)17-22(18-29(30)34-28)20-8-4-3-5-9-20;1-14-12-18(20-13-19(14)21(2,3)4)17-11-7-9-15-8-5-6-10-16(15)17;/h3-5,8-9,13-19,23H,6-7,10-11H2,1-2H3;5-10,12-13H,1-4H3;/q2*-1
• InChIKey: OUQCWBMBJWFDNW-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.24
LogP ≤ 5	13.28
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-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane (CID 169039275) is 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane is CC(C)(c1ccnc(-c2[c-]cc3oc4cc(-c5ccccc5)cc(F)c4c3c2)c1)C1CCCC1.Cc1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

The InChIKey is OUQCWBMBJWFDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FNO.C19H20NSi.Ir/c1-31(2,23-10-6-7-11-23)24-14-15-33-27(19-24)21-12-13-28-25(16-21)30-26(32)17-22(18-29(30)34-28)20-8-4-3-5-9-20;1-14-12-18(20-13-19(14)21(2,3)4)17-11-7-9-15-8-5-6-10-16(15)17;/h3-5,8-9,13-19,23H,6-7,10-11H2,1-2H3;5-10,12-13H,1-4H3;/q2*-1;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane?

4-(2-cyclopentylpropan-2-yl)-2-(9-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane has a molecular weight of 931.24 g/mol, XLogP of 13.28, 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-fluoro-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[4-methyl-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 169039275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).