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

C140H136Ir4N8S4Si4-8 — CID 159777879

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

tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane (PubChem CID 159777879) has the molecular formula C140H136Ir4N8S4Si4-8 and a molecular weight of 2943.18 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane.

Molecular Properties

• Compound Name: tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane
• PubChem CID: 159777879
• Molecular Formula: C140H136Ir4N8S4Si4-8
• Molecular Weight: 2943.18 g/mol
• Exact Mass: 2943.76
• IUPAC Name: tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-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.Cc1ccc(-c2[c-]cc([Si](C)(C)C)c3c2sc2ccccc23)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-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C21H20NSSi.4C14H14N.4Ir/c1-14-11-12-18(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;1-14-8-10-19(22-13-14)17-7-5-6-16-18-12-15(24(2,3)4)9-11-20(18)23-21(16)17;1-14-9-11-17(22-13-14)15-10-12-19(24(2,3)4)20-16-7-5-6-8-18(16)23-21(15)20;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h5-8,10-13H,1-4H3;2*5-6,8-13H,1-4H3;5-9,11-13H,1-4H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;/i1D3
• InChIKey: ZWYRCWNBZDYFPY-NSHGSSOCSA-N
• XLogP: 37.76
• TPSA: 103.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.18
LogP ≤ 5	37.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane (CID 159777879) is tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane.

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

The canonical SMILES for tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-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.Cc1ccc(-c2[c-]cc([Si](C)(C)C)c3c2sc2ccccc23)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-]ccc3c2sc2c([Si](C)(C)C)cccc23)nc1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is ZWYRCWNBZDYFPY-NSHGSSOCSA-N. The full InChI is InChI=1S/4C21H20NSSi.4C14H14N.4Ir/c1-14-11-12-18(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;1-14-8-10-19(22-13-14)17-7-5-6-16-18-12-15(24(2,3)4)9-11-20(18)23-21(16)17;1-14-9-11-17(22-13-14)15-10-12-19(24(2,3)4)20-16-7-5-6-8-18(16)23-21(15)20;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h5-8,10-13H,1-4H3;2*5-6,8-13H,1-4H3;5-9,11-13H,1-4H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;/i1D3;;;;;;;;;;;.

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

tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane has a molecular weight of 2943.18 g/mol, XLogP of 37.76, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine);trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane;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-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-4-yl]silane is sourced from PubChem (CID 159777879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).