tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

C191H195Ir4N13O4Si4-8 — CID 160711831

IUPACtetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Si](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C31H27N2O.C19H26NSi.C17H23N2Si.C16H20NSi.C15H18NSi.4Ir/c4*1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;1-12-11-15(14-9-7-6-8-10-14)17-13(2)16(12)18(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;;;;/h4*5-15,17-20H,1-4H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;
InChIKeyYLNPXBJVQHIFJA-OAQXFYBJSA-N
MW3633.05 g/mol
LogP49.95
Rot. Bonds31

About tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (PubChem CID 160711831) has the molecular formula C191H195Ir4N13O4Si4-8 and a molecular weight of 3633.05 g/mol. Its IUPAC name is tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Nametetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
PubChem CID160711831
Molecular FormulaC191H195Ir4N13O4Si4-8
Molecular Weight3633.05 g/mol
Exact Mass3633.40
IUPAC Nametetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Si](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C31H27N2O.C19H26NSi.C17H23N2Si.C16H20NSi.C15H18NSi.4Ir/c4*1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;1-12-11-15(14-9-7-6-8-10-14)17-13(2)16(12)18(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;;;;/h4*5-15,17-20H,1-4H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;
InChIKeyYLNPXBJVQHIFJA-OAQXFYBJSA-N
XLogP49.95
TPSA188.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003633.05
LogP ≤ 549.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The IUPAC name of tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (CID 160711831) is tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.
What is the SMILES notation for tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The canonical SMILES for tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Si](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Si](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
The InChIKey is YLNPXBJVQHIFJA-OAQXFYBJSA-N. The full InChI is InChI=1S/4C31H27N2O.C19H26NSi.C17H23N2Si.C16H20NSi.C15H18NSi.4Ir/c4*1-19(2)22-11-9-12-23(20(3)4)30(22)33-27-14-7-6-13-26(27)32-31(33)21-16-17-29-25(18-21)24-10-5-8-15-28(24)34-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;1-12-11-15(14-9-7-6-8-10-14)17-13(2)16(12)18(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;;;;/h4*5-15,17-20H,1-4H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;.
What are the key properties of tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?
tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane has a molecular weight of 3633.05 g/mol, XLogP of 49.95, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is sourced from PubChem (CID 160711831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).