[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine

C38H38IrN2OSi-2 — CID 155608383

About [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine

[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine (PubChem CID 155608383) has the molecular formula C38H38IrN2OSi-2 and a molecular weight of 759.04 g/mol. Its IUPAC name is [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
• PubChem CID: 155608383
• Molecular Formula: C38H38IrN2OSi-2
• Molecular Weight: 759.04 g/mol
• Exact Mass: 759.24
• IUPAC Name: [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
• SMILES: C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCCC3)cn2)c2oc3ccccc3c12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C26H28NOSi.C12H10N.Ir/c1-29(2,3)24-16-14-20(26-25(24)21-11-7-8-12-23(21)28-26)22-15-13-19(17-27-22)18-9-5-4-6-10-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h7-8,11-13,15-18H,4-6,9-10H2,1-3H3;2-5,7-9H,1H3;/q2*-1
• InChIKey: BCRKKDZEILOWCA-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.04
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 [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

The IUPAC name of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine (CID 155608383) is [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine.

What is the SMILES notation for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

The canonical SMILES for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine is C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCCC3)cn2)c2oc3ccccc3c12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

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

What are the key properties of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine has a molecular weight of 759.04 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine is sourced from PubChem (CID 155608383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).