[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

C117H126Ir4N4O11SSi6-4 — CID 157159498

IUPAC[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[Si](C)(C)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(C)C)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H30NSi2.C23H26NSi2.C21H20NO2SSi.C20H18NOSi.4C5H8O2.4Ir/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-16-13-20(24-15-23(16)25(2,3)4)17-11-12-22-19(14-17)18-9-7-8-10-21(18)26(22,5)6;1-14-11-18(22-13-21(14)26(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)25(20,23)24;1-23(2,3)15-10-11-21-18(13-15)14-8-9-20-17(12-14)16-6-4-5-7-19(16)22-20;4*1-4(6)3-5(2)7;;;;/h5-18,20-23H,1-4H3;7-10,12-15H,1-6H3;5-8,10-13H,1-4H3;4-7,9-13H,1-3H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyOACQFXVLEMJZIR-UHFFFAOYSA-N
MW2733.76 g/mol
LogP22.31
Rot. Bonds14

About [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)

[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (PubChem CID 157159498) has the molecular formula C117H126Ir4N4O11SSi6-4 and a molecular weight of 2733.76 g/mol. Its IUPAC name is [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium).

Molecular Properties

Compound Name[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
PubChem CID157159498
Molecular FormulaC117H126Ir4N4O11SSi6-4
Molecular Weight2733.76 g/mol
Exact Mass2734.63
IUPAC Name[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[Si](C)(C)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(C)C)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H30NSi2.C23H26NSi2.C21H20NO2SSi.C20H18NOSi.4C5H8O2.4Ir/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-16-13-20(24-15-23(16)25(2,3)4)17-11-12-22-19(14-17)18-9-7-8-10-21(18)26(22,5)6;1-14-11-18(22-13-21(14)26(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)25(20,23)24;1-23(2,3)15-10-11-21-18(13-15)14-8-9-20-17(12-14)16-6-4-5-7-19(16)22-20;4*1-4(6)3-5(2)7;;;;/h5-18,20-23H,1-4H3;7-10,12-15H,1-6H3;5-8,10-13H,1-4H3;4-7,9-13H,1-3H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyOACQFXVLEMJZIR-UHFFFAOYSA-N
XLogP22.31
TPSA248.04 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002733.76
LogP ≤ 522.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) with MolForge

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Launch Full Analysis

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-(3,4-difluorophenyl)pyridine;2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157092046
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-(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
Bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);3-phenyl-[1]benzofuro[3,2-c]pyridine;3-phenyl-[1]benzofuro[3,2-c]pyridine;trifluoromethanesulfonate
CID 157759369
[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

Frequently Asked Questions

What is the IUPAC name of [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The IUPAC name of [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) (CID 157159498) is [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium).
What is the SMILES notation for [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The canonical SMILES for [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[Si](C)(C)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2S3(=O)=O)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(C)C)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
The InChIKey is OACQFXVLEMJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30NSi2.C23H26NSi2.C21H20NO2SSi.C20H18NOSi.4C5H8O2.4Ir/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-16-13-20(24-15-23(16)25(2,3)4)17-11-12-22-19(14-17)18-9-7-8-10-21(18)26(22,5)6;1-14-11-18(22-13-21(14)26(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)25(20,23)24;1-23(2,3)15-10-11-21-18(13-15)14-8-9-20-17(12-14)16-6-4-5-7-19(16)22-20;4*1-4(6)3-5(2)7;;;;/h5-18,20-23H,1-4H3;7-10,12-15H,1-6H3;5-8,10-13H,1-4H3;4-7,9-13H,1-3H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)?
[2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) has a molecular weight of 2733.76 g/mol, XLogP of 22.31, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-dibenzofuran-3-id-2-yl)-4-pyridinyl]-trimethylsilane;[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium) is sourced from PubChem (CID 157159498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).