2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane

C44H35IrN3O2Si-2 — CID 156657001

About 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156657001) has the molecular formula C44H35IrN3O2Si-2 and a molecular weight of 858.09 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156657001
• Molecular Formula: C44H35IrN3O2Si-2
• Molecular Weight: 858.09 g/mol
• Exact Mass: 858.21
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane
• SMILES: Cc1ccc(-c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)o1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C25H15N2O.C19H20NOSi.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;1-14-10-11-18(21-14)16-12-17(15-8-6-5-7-9-15)20-13-19(16)22(2,3)4;/h1-12,14-16H;5-8,10-13H,1-4H3;/q2*-1
• InChIKey: USWCXKZUURMMAY-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.09
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane (CID 156657001) is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane is Cc1ccc(-c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)o1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is USWCXKZUURMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N2O.C19H20NOSi.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;1-14-10-11-18(21-14)16-12-17(15-8-6-5-7-9-15)20-13-19(16)22(2,3)4;/h1-12,14-16H;5-8,10-13H,1-4H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 858.09 g/mol, XLogP of 11.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156657001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).