[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole

C61H48FIrN3O2Si-2 — CID 156657193

About [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole

[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole (PubChem CID 156657193) has the molecular formula C61H48FIrN3O2Si-2 and a molecular weight of 1098.40 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole
• PubChem CID: 156657193
• Molecular Formula: C61H48FIrN3O2Si-2
• Molecular Weight: 1098.40 g/mol
• Exact Mass: 1098.34
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2oc3cc(-c4ccc5c(c4)oc4c(-c6nc7ccccc7n6-c6ccccc6-c6ccccc6)[c-]ccc45)ccc3c2c1.[Ir]
• InChI: InChI=1S/C44H27N2O2.C17H21FNSi.Ir/c1-27-18-23-40-36(24-27)33-22-20-29(25-41(33)47-40)30-19-21-32-34-13-9-14-35(43(34)48-42(32)26-30)44-45-37-15-6-8-17-39(37)46(44)38-16-7-5-12-31(38)28-10-3-2-4-11-28;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;/h2-13,15-26H,1H3;6,8-12H,1-5H3;/q2*-1;/i1D3;12D
• InChIKey: UZGOHSCEQXAMBO-RHMKGDKXSA-N
• XLogP: 16.29
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.40
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole (CID 156657193) is [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole is [2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2oc3cc(-c4ccc5c(c4)oc4c(-c6nc7ccccc7n6-c6ccccc6-c6ccccc6)[c-]ccc45)ccc3c2c1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole?

The InChIKey is UZGOHSCEQXAMBO-RHMKGDKXSA-N. The full InChI is InChI=1S/C44H27N2O2.C17H21FNSi.Ir/c1-27-18-23-40-36(24-27)33-22-20-29(25-41(33)47-40)30-19-21-32-34-13-9-14-35(43(34)48-42(32)26-30)44-45-37-15-6-8-17-39(37)46(44)38-16-7-5-12-31(38)28-10-3-2-4-11-28;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;/h2-13,15-26H,1H3;6,8-12H,1-5H3;/q2*-1;/i1D3;12D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole?

[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole has a molecular weight of 1098.40 g/mol, XLogP of 16.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;1-(2-phenylphenyl)-2-[7-[8-(trideuteriomethyl)dibenzofuran-3-yl]-3H-dibenzofuran-3-id-4-yl]benzimidazole is sourced from PubChem (CID 156657193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).