1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C68H57IrN3OSi-2 — CID 167331851

About 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 167331851) has the molecular formula C68H57IrN3OSi-2 and a molecular weight of 1155.55 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 167331851
• Molecular Formula: C68H57IrN3OSi-2
• Molecular Weight: 1155.55 g/mol
• Exact Mass: 1155.41
• IUPAC Name: 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C49H31N2O.C19H26NSi.Ir/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-30-31-41-42-22-13-23-43(48(42)52-46(41)32-38)49-50-44-24-10-11-25-45(44)51(49)47-39(36-16-6-2-7-17-36)20-12-21-40(47)37-18-8-3-9-19-37;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h1-22,24-32H;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3
• InChIKey: FJDONVHNHACGLF-UMJUAPLUSA-N
• XLogP: 17.66
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.55
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 167331851) is 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is [2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is FJDONVHNHACGLF-UMJUAPLUSA-N. The full InChI is InChI=1S/C49H31N2O.C19H26NSi.Ir/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-30-31-41-42-22-13-23-43(48(42)52-46(41)32-38)49-50-44-24-10-11-25-45(44)51(49)47-39(36-16-6-2-7-17-36)20-12-21-40(47)37-18-8-3-9-19-37;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h1-22,24-32H;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1155.55 g/mol, XLogP of 17.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 167331851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).