[4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide

C98H86FGe2Ir2N7O2-4 — CID 163662377

About [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide

[4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide (PubChem CID 163662377) has the molecular formula C98H86FGe2Ir2N7O2-4 and a molecular weight of 1958.56 g/mol. Its IUPAC name is [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide.

Molecular Properties

• Compound Name: [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide
• PubChem CID: 163662377
• Molecular Formula: C98H86FGe2Ir2N7O2-4
• Molecular Weight: 1958.56 g/mol
• Exact Mass: 1961.55
• IUPAC Name: [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide
• SMILES: [2H]C(C)(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc3oc4nc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])nc4c3c2)ncc1-c1ccccc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]nc3oc4ccc(F)cc4c3c2)c1.[Ir].[Ir]
• InChI: InChI=1S/C28H28GeN.C24H18N3O.C23H14FN2O.C23H26GeN.2Ir/c1-21(22-12-7-5-8-13-22)26-19-28(30-20-27(26)29(2,3)4)25-17-11-16-24(18-25)23-14-9-6-10-15-23;1-14-11-21(25-13-20(14)17-7-5-4-6-8-17)18-9-10-22-19(12-18)23-24(28-22)27-16(3)15(2)26-23;24-18-6-7-22-19(13-18)20-12-17(14-26-23(20)27-22)21-11-16(8-9-25-21)10-15-4-2-1-3-5-15;1-17-11-13-20(14-12-17)23-15-21(22(16-25-23)24(3,4)5)18(2)19-9-7-6-8-10-19;;/h5-16,18-21H,1-4H3;4-8,10-13H,1-3H3;1-9,11-13H,10H2;6-13,15-16,18H,1-5H3;;/q4*-1;;/i21D;1D3,2D3,3D3;10D2;1D3,18D
• InChIKey: MJCVEDMEDQMHKR-ULGWPISRSA-N
• XLogP: 23.87
• TPSA: 116.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1958.56
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide?

The IUPAC name of [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide (CID 163662377) is [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide.

What is the SMILES notation for [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide?

The canonical SMILES for [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide is [2H]C(C)(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)c3ccccc3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc3oc4nc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])nc4c3c2)ncc1-c1ccccc1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]nc3oc4ccc(F)cc4c3c2)c1.[Ir].[Ir].

What is the InChIKey of [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide?

The InChIKey is MJCVEDMEDQMHKR-ULGWPISRSA-N. The full InChI is InChI=1S/C28H28GeN.C24H18N3O.C23H14FN2O.C23H26GeN.2Ir/c1-21(22-12-7-5-8-13-22)26-19-28(30-20-27(26)29(2,3)4)25-17-11-16-24(18-25)23-14-9-6-10-15-23;1-14-11-21(25-13-20(14)17-7-5-4-6-8-17)18-9-10-22-19(12-18)23-24(28-22)27-16(3)15(2)26-23;24-18-6-7-22-19(13-18)20-12-17(14-26-23(20)27-22)21-11-16(8-9-25-21)10-15-4-2-1-3-5-15;1-17-11-13-20(14-12-17)23-15-21(22(16-25-23)24(3,4)5)18(2)19-9-7-6-8-10-19;;/h5-16,18-21H,1-4H3;4-8,10-13H,1-3H3;1-9,11-13H,10H2;6-13,15-16,18H,1-5H3;;/q4*-1;;/i21D;1D3,2D3,3D3;10D2;1D3,18D;;.

What are the key properties of [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide?

[4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide has a molecular weight of 1958.56 g/mol, XLogP of 23.87, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1-deuterio-1-phenylethyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(1-deuterio-1-phenylethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;3-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-6-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;bis(iridium);8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyrazin-7-ide is sourced from PubChem (CID 163662377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).