2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane

C45H43IrN3OSi-2 — CID 156659981

About 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 156659981) has the molecular formula C45H43IrN3OSi-2 and a molecular weight of 862.16 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 156659981
• Molecular Formula: C45H43IrN3OSi-2
• Molecular Weight: 862.16 g/mol
• Exact Mass: 862.28
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C25H15N2O.C20H28NSi.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-14(2)16-8-10-17(11-9-16)19-12-18(15(3)4)20(13-21-19)22(5,6)7;/h1-12,14-16H;8-10,12-15H,1-7H3;/q2*-1
• InChIKey: VACQDRYCSFNMKX-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.16
LogP ≤ 5	11.73
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-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 156659981) is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)c1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is VACQDRYCSFNMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N2O.C20H28NSi.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-14(2)16-8-10-17(11-9-16)19-12-18(15(3)4)20(13-21-19)22(5,6)7;/h1-12,14-16H;8-10,12-15H,1-7H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 862.16 g/mol, XLogP of 11.73, 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-phenylbenzimidazole;iridium;trimethyl-[4-propan-2-yl-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156659981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).