[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine

C38H38IrN2SSi-2 — CID 155608365

About [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine (PubChem CID 155608365) has the molecular formula C38H38IrN2SSi-2 and a molecular weight of 775.11 g/mol. Its IUPAC name is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
• PubChem CID: 155608365
• Molecular Formula: C38H38IrN2SSi-2
• Molecular Weight: 775.11 g/mol
• Exact Mass: 775.22
• IUPAC Name: [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
• SMILES: C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C26H28NSSi.C12H10N.Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;2-5,7-9H,1H3;/q2*-1
• InChIKey: XTUYRHUZSZECNX-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.11
LogP ≤ 5	10.36
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-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

The IUPAC name of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine (CID 155608365) is [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine.

What is the SMILES notation for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

The canonical SMILES for [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine is C[Si](C)(C)c1cccc2c1sc1c(-c3ccc(C4CCCCC4)cn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

The InChIKey is XTUYRHUZSZECNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28NSSi.C12H10N.Ir/c1-29(2,3)24-14-8-12-21-20-11-7-13-22(25(20)28-26(21)24)23-16-15-19(17-27-23)18-9-5-4-6-10-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h7-8,11-12,14-18H,4-6,9-10H2,1-3H3;2-5,7-9H,1H3;/q2*-1;.

What are the key properties of [6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine?

[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine has a molecular weight of 775.11 g/mol, XLogP of 10.36, 4 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-dibenzothiophen-7-id-4-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine is sourced from PubChem (CID 155608365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).