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

C48H41IrN3OSi-2 — CID 156658575

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

[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium (PubChem CID 156658575) has the molecular formula C48H41IrN3OSi-2 and a molecular weight of 897.19 g/mol. Its IUPAC name is [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium
• PubChem CID: 156658575
• Molecular Formula: C48H41IrN3OSi-2
• Molecular Weight: 897.19 g/mol
• Exact Mass: 897.27
• IUPAC Name: [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium
• SMILES: [2H]C(C)(C)c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C31H19N2O.C17H22NSi.Ir/c1-2-10-21(11-3-1)22-12-8-13-23(20-22)33-28-18-6-5-17-27(28)32-31(33)26-16-9-15-25-24-14-4-7-19-29(24)34-30(25)26;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-18-17)19(3,4)5;/h1-15,17-20H;6-8,10-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: IUNYQKCCDNUDAP-LTBAMTPYSA-N
• XLogP: 12.27
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.19
LogP ≤ 5	12.27
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 [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium?

The IUPAC name of [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium (CID 156658575) is [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium.

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

The canonical SMILES for [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium is [2H]C(C)(C)c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.

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

The InChIKey is IUNYQKCCDNUDAP-LTBAMTPYSA-N. The full InChI is InChI=1S/C31H19N2O.C17H22NSi.Ir/c1-2-10-21(11-3-1)22-12-8-13-23(20-22)33-28-18-6-5-17-27(28)32-31(33)26-16-9-15-25-24-14-4-7-19-29(24)34-30(25)26;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-18-17)19(3,4)5;/h1-15,17-20H;6-8,10-13H,1-5H3;/q2*-1;/i;13D;.

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

[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium has a molecular weight of 897.19 g/mol, XLogP of 12.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;iridium is sourced from PubChem (CID 156658575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).