2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C46H45IrN3OSi-2 — CID 156659737

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 156659737) has the molecular formula C46H45IrN3OSi-2 and a molecular weight of 876.19 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• PubChem CID: 156659737
• Molecular Formula: C46H45IrN3OSi-2
• Molecular Weight: 876.19 g/mol
• Exact Mass: 876.30
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• SMILES: Cc1cc[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c1.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C27H19N2O.C19H26NSi.Ir/c1-17-9-7-10-18(2)25(17)29-23-15-5-4-14-22(23)28-27(29)21-13-8-12-20-19-11-3-6-16-24(19)30-26(20)21;1-14(2)10-17-12-18(16-9-7-8-15(3)11-16)20-13-19(17)21(4,5)6;/h3-12,14-16H,1-2H3;7-8,11-14H,10H2,1-6H3;/q2*-1
• InChIKey: VXZGYTQVYXXOFQ-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.19
LogP ≤ 5	11.61
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 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 156659737) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

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

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is Cc1cc[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c1.Cc1cccc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir].

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

The InChIKey is VXZGYTQVYXXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N2O.C19H26NSi.Ir/c1-17-9-7-10-18(2)25(17)29-23-15-5-4-14-22(23)28-27(29)21-13-8-12-20-19-11-3-6-16-24(19)30-26(20)21;1-14(2)10-17-12-18(16-9-7-8-15(3)11-16)20-13-19(17)21(4,5)6;/h3-12,14-16H,1-2H3;7-8,11-14H,10H2,1-6H3;/q2*-1;.

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

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 876.19 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 156659737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).