[6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)

C109H96Ir3N6O3SSi4-6 — CID 161188611

About [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)

[6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) (PubChem CID 161188611) has the molecular formula C109H96Ir3N6O3SSi4-6 and a molecular weight of 2259.07 g/mol. Its IUPAC name is [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine).

Molecular Properties

• Compound Name: [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
• PubChem CID: 161188611
• Molecular Formula: C109H96Ir3N6O3SSi4-6
• Molecular Weight: 2259.07 g/mol
• Exact Mass: 2259.53
• IUPAC Name: [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
• SMILES: CC(C)Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C32H28NSi2.C24H26NOSi.C20H18NO2SSi.3C11H8N.3Ir/c1-34(2,3)27-19-21-30(33-23-27)24-18-20-29-28-16-10-11-17-31(28)35(32(29)22-24,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-16(2)12-18-13-21(25-15-24(18)27(3,4)5)17-10-11-20-19-8-6-7-9-22(19)26-23(20)14-17;1-25(2,3)15-9-11-18(21-13-15)14-8-10-17-16-6-4-5-7-19(16)24(22,23)20(17)12-14;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-17,19-23H,1-3H3;6-9,11,13-16H,12H2,1-5H3;4-7,9-13H,1-3H3;3*1-6,8-9H;;;/q6*-1
• InChIKey: SJXGHEAUKLHOIC-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 124.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2259.07
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?

The IUPAC name of [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) (CID 161188611) is [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine).

What is the SMILES notation for [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?

The canonical SMILES for [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) is CC(C)Cc1cc(-c2[c-]cc3c(c2)oc2ccccc23)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?

The InChIKey is SJXGHEAUKLHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28NSi2.C24H26NOSi.C20H18NO2SSi.3C11H8N.3Ir/c1-34(2,3)27-19-21-30(33-23-27)24-18-20-29-28-16-10-11-17-31(28)35(32(29)22-24,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-16(2)12-18-13-21(25-15-24(18)27(3,4)5)17-10-11-20-19-8-6-7-9-22(19)26-23(20)14-17;1-25(2,3)15-9-11-18(21-13-15)14-8-10-17-16-6-4-5-7-19(16)24(22,23)20(17)12-14;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-17,19-23H,1-3H3;6-9,11,13-16H,12H2,1-5H3;4-7,9-13H,1-3H3;3*1-6,8-9H;;;/q6*-1;;;.

What are the key properties of [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?

[6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) has a molecular weight of 2259.07 g/mol, XLogP of 22.19, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) is sourced from PubChem (CID 161188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).