[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine

C148H122Ir4N8O3S2Si5-8 — CID 157377659

IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C37H30NSi2.C25H20NO2SSi.C20H18NOSi.C20H18NSSi.2C12H10N.2C11H8N.4Ir/c1-39(2,29-14-6-3-7-15-29)32-23-25-35(38-27-32)28-22-24-34-33-20-12-13-21-36(33)40(37(34)26-28,30-16-8-4-9-17-30)31-18-10-5-11-19-31;1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18;2*1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-21,23-27H,1-2H3;3-11,13-17H,1-2H3;2*4-7,9-13H,1-3H3;2*2-7,9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;
InChIKeyRFHAINCJSXYEGE-WQAQYZOTSA-N
MW3037.11 g/mol
LogP30.17
Rot. Bonds17

About [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine (PubChem CID 157377659) has the molecular formula C148H122Ir4N8O3S2Si5-8 and a molecular weight of 3037.11 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine
PubChem CID157377659
Molecular FormulaC148H122Ir4N8O3S2Si5-8
Molecular Weight3037.11 g/mol
Exact Mass3037.67
IUPAC Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C37H30NSi2.C25H20NO2SSi.C20H18NOSi.C20H18NSSi.2C12H10N.2C11H8N.4Ir/c1-39(2,29-14-6-3-7-15-29)32-23-25-35(38-27-32)28-22-24-34-33-20-12-13-21-36(33)40(37(34)26-28,30-16-8-4-9-17-30)31-18-10-5-11-19-31;1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18;2*1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-21,23-27H,1-2H3;3-11,13-17H,1-2H3;2*4-7,9-13H,1-3H3;2*2-7,9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;
InChIKeyRFHAINCJSXYEGE-WQAQYZOTSA-N
XLogP30.17
TPSA150.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003037.11
LogP ≤ 530.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine (CID 157377659) is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine is C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]cc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine?
The InChIKey is RFHAINCJSXYEGE-WQAQYZOTSA-N. The full InChI is InChI=1S/C37H30NSi2.C25H20NO2SSi.C20H18NOSi.C20H18NSSi.2C12H10N.2C11H8N.4Ir/c1-39(2,29-14-6-3-7-15-29)32-23-25-35(38-27-32)28-22-24-34-33-20-12-13-21-36(33)40(37(34)26-28,30-16-8-4-9-17-30)31-18-10-5-11-19-31;1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18;2*1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-21,23-27H,1-2H3;3-11,13-17H,1-2H3;2*4-7,9-13H,1-3H3;2*2-7,9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;;;;1D3;;;;;;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine?
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine has a molecular weight of 3037.11 g/mol, XLogP of 30.17, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;tetrakis(iridium);2-methyl-6-phenylpyridine;bis(2-phenylpyridine);2-phenyl-6-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157377659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).