[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane

C178H174Ir5N10S5Si5-10 — CID 158986396

About [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane

[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane (PubChem CID 158986396) has the molecular formula C178H174Ir5N10S5Si5-10 and a molecular weight of 3718.29 g/mol. Its IUPAC name is [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane.

Molecular Properties

• Compound Name: [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane
• PubChem CID: 158986396
• Molecular Formula: C178H174Ir5N10S5Si5-10
• Molecular Weight: 3718.29 g/mol
• Exact Mass: 3718.98
• IUPAC Name: [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane
• SMILES: CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.Cc1ccc(-c2[c-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2cc([Si](C)(C)C)ccc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2ccc([Si](C)(C)C)cc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2cccc([Si](C)(C)C)c23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H28NSSi.4C21H20NSSi.4C14H14N.C12H10N.5Ir/c1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;1-14-11-12-17(22-13-14)15-7-5-8-16-20-18(23-21(15)16)9-6-10-19(20)24(2,3)4;1-14-8-11-19(22-13-14)18-7-5-6-17-16-10-9-15(24(2,3)4)12-20(16)23-21(17)18;1-14-8-10-19(22-13-14)17-7-5-6-16-18-12-15(24(2,3)4)9-11-20(18)23-21(16)17;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;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;5-8,10-13H,1-4H3;3*5-6,8-13H,1-4H3;4*3-6,8-11H,1-2H3;2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;;;;;1D3
• InChIKey: DOUAZIPKTSMZLZ-OEPDZENMSA-N
• XLogP: 48.12
• TPSA: 128.90 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3718.29
LogP ≤ 5	48.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?

The IUPAC name of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane (CID 158986396) is [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane.

What is the SMILES notation for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?

The canonical SMILES for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane is CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2cc(C3CCCCC3)ccn2)c2sc3ccccc3c12.Cc1ccc(-c2[c-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2cc([Si](C)(C)C)ccc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2ccc([Si](C)(C)C)cc23)nc1.Cc1ccc(-c2[c-]ccc3c2sc2cccc([Si](C)(C)C)c23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?

The InChIKey is DOUAZIPKTSMZLZ-OEPDZENMSA-N. The full InChI is InChI=1S/C26H28NSSi.4C21H20NSSi.4C14H14N.C12H10N.5Ir/c1-29(2,3)24-14-13-20(26-25(24)21-11-7-8-12-23(21)28-26)22-17-19(15-16-27-22)18-9-5-4-6-10-18;1-14-11-12-18(22-13-14)17-9-5-7-15-16-8-6-10-19(24(2,3)4)21(16)23-20(15)17;1-14-11-12-17(22-13-14)15-7-5-8-16-20-18(23-21(15)16)9-6-10-19(20)24(2,3)4;1-14-8-11-19(22-13-14)18-7-5-6-17-16-10-9-15(24(2,3)4)12-20(16)23-21(17)18;1-14-8-10-19(22-13-14)17-7-5-6-16-18-12-15(24(2,3)4)9-11-20(18)23-21(16)17;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;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;5-8,10-13H,1-4H3;3*5-6,8-13H,1-4H3;4*3-6,8-11H,1-2H3;2-5,7-9H,1H3;;;;;/q10*-1;;;;;/i;;;;;;;;;1D3;;;;;.

What are the key properties of [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane?

[4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane has a molecular weight of 3718.29 g/mol, XLogP of 48.12, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;pentakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]silane is sourced from PubChem (CID 158986396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).