1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

C117H109Ir3N9O3Si3-6 — CID 163654527

About 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (PubChem CID 163654527) has the molecular formula C117H109Ir3N9O3Si3-6 and a molecular weight of 2359.18 g/mol. Its IUPAC name is 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• PubChem CID: 163654527
• Molecular Formula: C117H109Ir3N9O3Si3-6
• Molecular Weight: 2359.18 g/mol
• Exact Mass: 2359.74
• IUPAC Name: 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• SMILES: CC(C)n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1
• InChI: InChI=1S/C26H17N2O.C22H17N2O.C21H15N2O.3C16H20NSi.3Ir/c1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;3*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;/h1-12,14-16H,17H2;3-9,11-14H,1-2H3;3-9,11-13H,2H2,1H3;3*6-8,10-11H,1-5H3;;;/q6*-1;;;/i;;;3*1D3
• InChIKey: ADDQKLWCUYRXDI-GZCGHJCVSA-N
• XLogP: 28.98
• TPSA: 131.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.18
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The IUPAC name of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (CID 163654527) is 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

What is the SMILES notation for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The canonical SMILES for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is CC(C)n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The InChIKey is ADDQKLWCUYRXDI-GZCGHJCVSA-N. The full InChI is InChI=1S/C26H17N2O.C22H17N2O.C21H15N2O.3C16H20NSi.3Ir/c1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;3*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;/h1-12,14-16H,17H2;3-9,11-14H,1-2H3;3-9,11-13H,2H2,1H3;3*6-8,10-11H,1-5H3;;;/q6*-1;;;/i;;;3*1D3;;;.

What are the key properties of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) has a molecular weight of 2359.18 g/mol, XLogP of 28.98, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tris(iridium);tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is sourced from PubChem (CID 163654527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).