[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium

C64H65IrN3OSi-2 — CID 156659955

About [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (PubChem CID 156659955) has the molecular formula C64H65IrN3OSi-2 and a molecular weight of 1112.55 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
• PubChem CID: 156659955
• Molecular Formula: C64H65IrN3OSi-2
• Molecular Weight: 1112.55 g/mol
• Exact Mass: 1112.45
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C.CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.[Ir]
• InChI: InChI=1S/C41H31N2O.C23H34NSi.Ir/c1-41(2,3)29-25-33(27-15-6-4-7-16-27)38(34(26-29)28-17-8-5-9-18-28)43-36-23-12-11-22-35(36)42-40(43)32-21-14-20-31-30-19-10-13-24-37(30)44-39(31)32;1-22(2,3)15-18-14-20(24-16-21(18)25(7,8)9)17-11-10-12-19(13-17)23(4,5)6;/h4-20,22-26H,1-3H3;10,12-14,16H,15H2,1-9H3;/q2*-1
• InChIKey: ICFHDQHUJIBYLX-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.55
LogP ≤ 5	17.00
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-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (CID 156659955) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.

What is the SMILES notation for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is CC(C)(C)Cc1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C.CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?

The InChIKey is ICFHDQHUJIBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N2O.C23H34NSi.Ir/c1-41(2,3)29-25-33(27-15-6-4-7-16-27)38(34(26-29)28-17-8-5-9-18-28)43-36-23-12-11-22-35(36)42-40(43)32-21-14-20-31-30-19-10-13-24-37(30)44-39(31)32;1-22(2,3)15-18-14-20(24-16-21(18)25(7,8)9)17-11-10-12-19(13-17)23(4,5)6;/h4-20,22-26H,1-3H3;10,12-14,16H,15H2,1-9H3;/q2*-1;.

What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium has a molecular weight of 1112.55 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is sourced from PubChem (CID 156659955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).