tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C184H168GeIr4N4O3SSi3 — CID 163997163

About tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 163997163) has the molecular formula C184H168GeIr4N4O3SSi3 and a molecular weight of 3453.27 g/mol. Its IUPAC name is tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 163997163
• Molecular Formula: C184H168GeIr4N4O3SSi3
• Molecular Weight: 3453.27 g/mol
• Exact Mass: 3455.06
• IUPAC Name: tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/3C26H18O.C26H18S.C23H26NSi.C21H22GeN.2C18H24NSi.4Ir/c4*1-18(19-9-3-2-4-10-19)20-11-7-12-21(17-20)22-14-8-15-24-23-13-5-6-16-25(23)27-26(22)24;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;1-16-10-12-18(13-11-16)21-14-19(17-8-6-5-7-9-17)20(15-23-21)22(2,3)4;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;/h4*2-11,13,15-18H,1H3;6-12,14-17H,1-5H3;5-12,14-15H,1-4H3;7-9,11-13H,1-6H3;6-9,12-14H,11H2,1-5H3;;;;/q4*-2;4*-1;4*+3/i4*18D;17D;1D3;3D3,13D
• InChIKey: GKKKMPWDAXCJPR-MUSJEAPWSA-N
• XLogP: 48.25
• TPSA: 90.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3453.27
LogP ≤ 5	48.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 163997163) is tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C(C)(c1ccccc1)c1cc[c-]c(-c2[c-]ccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is GKKKMPWDAXCJPR-MUSJEAPWSA-N. The full InChI is InChI=1S/3C26H18O.C26H18S.C23H26NSi.C21H22GeN.2C18H24NSi.4Ir/c4*1-18(19-9-3-2-4-10-19)20-11-7-12-21(17-20)22-14-8-15-24-23-13-5-6-16-25(23)27-26(22)24;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;1-16-10-12-18(13-11-16)21-14-19(17-8-6-5-7-9-17)20(15-23-21)22(2,3)4;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;/h4*2-11,13,15-18H,1H3;6-12,14-17H,1-5H3;5-12,14-15H,1-4H3;7-9,11-13H,1-6H3;6-9,12-14H,11H2,1-5H3;;;;/q4*-2;4*-1;4*+3/i4*18D;17D;1D3;3D3,13D;;;;;.

What are the key properties of tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 3453.27 g/mol, XLogP of 48.25, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzofuran-3-ide);4-[3-(1-deuterio-1-phenylethyl)benzene-6-id-1-yl]-3H-dibenzothiophen-3-ide;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium(3+));trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 163997163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).