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

C57H59IrN3OSi-2 — CID 156660089

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

[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (PubChem CID 156660089) has the molecular formula C57H59IrN3OSi-2 and a molecular weight of 1022.42 g/mol. Its IUPAC name is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.

Molecular Properties

• Compound Name: [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
• PubChem CID: 156660089
• Molecular Formula: C57H59IrN3OSi-2
• Molecular Weight: 1022.42 g/mol
• Exact Mass: 1022.41
• IUPAC Name: [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
• SMILES: CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C35H27N2O.C22H32NSi.Ir/c1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h4-17,19-22H,1-3H3;9,11-12,14-16H,13H2,1-8H3;/q2*-1
• InChIKey: BTOYHPOXCJPUCD-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.42
LogP ≤ 5	14.94
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-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?

The IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (CID 156660089) is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.

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

The canonical SMILES for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Si](C)(C)C.[Ir].

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

The InChIKey is BTOYHPOXCJPUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N2O.C22H32NSi.Ir/c1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h4-17,19-22H,1-3H3;9,11-12,14-16H,13H2,1-8H3;/q2*-1;.

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

[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium has a molecular weight of 1022.42 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is sourced from PubChem (CID 156660089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).