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

C108H94Ir3N6O3SSi4-6 — CID 157206845

IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C32H28NSi2.C20H18NO2SSi.C20H18NOSi.3C12H10N.3Ir/c1-34(2,3)27-19-20-30(33-23-27)24-18-21-32-29(22-24)28-16-10-11-17-31(28)35(32,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-25(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)24(20,22)23;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;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h4-17,19-23H,1-3H3;4-7,9-13H,1-3H3;4-7,9-13H,1-3H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;
InChIKeyUTKIUNMJOGBVFO-WOCRSOJBSA-N
MW2248.06 g/mol
LogP21.92
Rot. Bonds12

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

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 157206845) has the molecular formula C108H94Ir3N6O3SSi4-6 and a molecular weight of 2248.06 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID157206845
Molecular FormulaC108H94Ir3N6O3SSi4-6
Molecular Weight2248.06 g/mol
Exact Mass2248.53
IUPAC Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C32H28NSi2.C20H18NO2SSi.C20H18NOSi.3C12H10N.3Ir/c1-34(2,3)27-19-20-30(33-23-27)24-18-21-32-29(22-24)28-16-10-11-17-31(28)35(32,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-25(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)24(20,22)23;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;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h4-17,19-23H,1-3H3;4-7,9-13H,1-3H3;4-7,9-13H,1-3H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;
InChIKeyUTKIUNMJOGBVFO-WOCRSOJBSA-N
XLogP21.92
TPSA124.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002248.06
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

iridium;iridium(3+);methanol;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-methyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 157068741
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenyl-5-propan-2-ylpyridine);trifluoromethanesulfonate
CID 157195204
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-methyl-6-phenylpyridine);trifluoromethanesulfonate
CID 157329600
3H-dibenzofuran-3-ide;2-dibenzofuran-4-yl-4-(1,1,1-trideuteriopropan-2-yl)pyridine;iridium;iridium(3+);methanol;tetrakis(2-phenylpyridine);4-(1,1,1-trideuteriopropan-2-yl)pyridine;trifluoromethanesulfonic acid
CID 157345933
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(5-methyl-2-phenylpyridine);trifluoromethanesulfonate
CID 157423508
2-(3H-dibenzofuran-3-id-4-yl)-4-ethylpyridine;2-dibenzofuran-4-yl-4-ethylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenylpyridine);trifluoromethanesulfonate
CID 157444017
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;(6-dibenzofuran-2-yl-3-pyridinyl)-trimethylsilane;ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonic acid;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 157730818
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-dibenzofuran-2-yl-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;ethanol;iridium;iridium(3+);methane;methanol;tetrakis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 157788274
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-dibenzofuran-2-yl-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;ethanol;iridium;iridium(3+);methanol;tetrakis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 158172938
2-(3H-dibenzofuran-3-id-4-yl)-4-methyl-5-(2-methylpropyl)pyridine;2-dibenzofuran-4-yl-4-methyl-5-(2-methylpropyl)pyridine;tetrakis(4,5-dimethyl-2-phenylpyridine);bis(iridium(3+));methanol;trifluoromethanesulfonate
CID 158398836
tetrakis([6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane);ethanol;iridium;iridium(3+);methanol;2-phenylpyridine;2-phenylpyridine;trifluoromethanesulfonic acid
CID 158458529

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (CID 157206845) is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is UTKIUNMJOGBVFO-WOCRSOJBSA-N. The full InChI is InChI=1S/C32H28NSi2.C20H18NO2SSi.C20H18NOSi.3C12H10N.3Ir/c1-34(2,3)27-19-20-30(33-23-27)24-18-21-32-29(22-24)28-16-10-11-17-31(28)35(32,25-12-6-4-7-13-25)26-14-8-5-9-15-26;1-25(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)24(20,22)23;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;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h4-17,19-23H,1-3H3;4-7,9-13H,1-3H3;4-7,9-13H,1-3H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i;;;1D3;;;;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2248.06 g/mol, XLogP of 21.92, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);bis(5-methyl-2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157206845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).