[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine

C38H38IrN2OSi-2 — CID 155608985

About [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 155608985) has the molecular formula C38H38IrN2OSi-2 and a molecular weight of 762.06 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 155608985
• Molecular Formula: C38H38IrN2OSi-2
• Molecular Weight: 762.06 g/mol
• Exact Mass: 762.26
• IUPAC Name: [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: C[Si](C)(C)c1ccc2oc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C26H28NOSi.C12H10N.Ir/c1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h7,10,12-18H,4-6,8-9H2,1-3H3;2-5,7-9H,1H3;/q2*-1;/i;1D3
• InChIKey: YZTQHTCDNMHALW-ICMJTWPQSA-N
• XLogP: 9.90
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.06
LogP ≤ 5	9.90
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 [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine?

The IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine (CID 155608985) is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine.

What is the SMILES notation for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine?

The canonical SMILES for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine is C[Si](C)(C)c1ccc2oc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c2c1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine?

The InChIKey is YZTQHTCDNMHALW-ICMJTWPQSA-N. The full InChI is InChI=1S/C26H28NOSi.C12H10N.Ir/c1-29(2,3)20-13-15-25-23(16-20)21-10-7-11-22(26(21)28-25)24-14-12-19(17-27-24)18-8-5-4-6-9-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h7,10,12-18H,4-6,8-9H2,1-3H3;2-5,7-9H,1H3;/q2*-1;/i;1D3;.

What are the key properties of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine?

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 762.06 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-2-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 155608985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).