2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)

C134H105Ir3N9O6Si3-6 — CID 160796393

About 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)

2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane) (PubChem CID 160796393) has the molecular formula C134H105Ir3N9O6Si3-6 and a molecular weight of 2598.28 g/mol. Its IUPAC name is 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• PubChem CID: 160796393
• Molecular Formula: C134H105Ir3N9O6Si3-6
• Molecular Weight: 2598.28 g/mol
• Exact Mass: 2598.64
• IUPAC Name: 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• SMILES: C[Si](C)(C)c1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1-c1ccccc1.C[Si](C)(C)c1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1-c1ccccc1.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1ccc(-c2nnc(-c3[c-]cc4c(c3)oc3ccccc34)o2)cc1.[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1nnc(-c3ccccc3)o1)oc1ccccc12.[c-]1cc2c(cc1-c1nnc(-c3ccccc3)o1)oc1ccccc12
• InChI: InChI=1S/2C26H24NSi.C21H13N2O2.C21H22NSi.2C20H11N2O2.3Ir/c2*1-28(2,3)26-19-27-25(18-24(26)21-13-8-5-9-14-21)23-16-10-15-22(17-23)20-11-6-4-7-12-20;1-13-6-8-14(9-7-13)20-22-23-21(25-20)15-10-11-17-16-4-2-3-5-18(16)24-19(17)12-15;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;2*1-2-6-13(7-3-1)19-21-22-20(24-19)14-10-11-16-15-8-4-5-9-17(15)23-18(16)12-14;;;/h2*4-15,17-19H,1-3H3;2-9,11-12H,1H3;5-11,13-15H,1-4H3;2*1-9,11-12H;;;/q6*-1
• InChIKey: USSADOUOIXNVPQ-UHFFFAOYSA-N
• XLogP: 33.54
• TPSA: 194.85 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.28
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The IUPAC name of 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane) (CID 160796393) is 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane).

What is the SMILES notation for 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The canonical SMILES for 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane) is C[Si](C)(C)c1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1-c1ccccc1.C[Si](C)(C)c1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1-c1ccccc1.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1ccc(-c2nnc(-c3[c-]cc4c(c3)oc3ccccc34)o2)cc1.[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1nnc(-c3ccccc3)o1)oc1ccccc12.[c-]1cc2c(cc1-c1nnc(-c3ccccc3)o1)oc1ccccc12.

What is the InChIKey of 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The InChIKey is USSADOUOIXNVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24NSi.C21H13N2O2.C21H22NSi.2C20H11N2O2.3Ir/c2*1-28(2,3)26-19-27-25(18-24(26)21-13-8-5-9-14-21)23-16-10-15-22(17-23)20-11-6-4-7-12-20;1-13-6-8-14(9-7-13)20-22-23-21(25-20)15-10-11-17-16-4-2-3-5-18(16)24-19(17)12-15;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;2*1-2-6-13(7-3-1)19-21-22-20(24-19)14-10-11-16-15-8-4-5-9-17(15)23-18(16)12-14;;;/h2*4-15,17-19H,1-3H3;2-9,11-12H,1H3;5-11,13-15H,1-4H3;2*1-9,11-12H;;;/q6*-1;;;.

What are the key properties of 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane) has a molecular weight of 2598.28 g/mol, XLogP of 33.54, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-dibenzofuran-2-id-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole;bis(2-(2H-dibenzofuran-2-id-3-yl)-5-phenyl-1,3,4-oxadiazole);tris(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;bis(trimethyl-[4-phenyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane) is sourced from PubChem (CID 160796393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).