2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C53H49IrN3OSi-2 — CID 165161686

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 165161686) has the molecular formula C53H49IrN3OSi-2 and a molecular weight of 964.30 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 165161686
• Molecular Formula: C53H49IrN3OSi-2
• Molecular Weight: 964.30 g/mol
• Exact Mass: 964.33
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2c(cc1-n1c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc31)C(C)(C)c1ccccc1-2.[Ir]
• InChI: InChI=1S/C35H25N2O.C18H24NSi.Ir/c1-21-19-26-22-11-4-6-15-27(22)35(2,3)28(26)20-31(21)37-30-17-8-7-16-29(30)36-34(37)25-14-10-13-24-23-12-5-9-18-32(23)38-33(24)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-13,15-20H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: PPHIIPJSWKJKSS-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.30
LogP ≤ 5	13.30
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-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 165161686) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2c(cc1-n1c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc31)C(C)(C)c1ccccc1-2.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is PPHIIPJSWKJKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2O.C18H24NSi.Ir/c1-21-19-26-22-11-4-6-15-27(22)35(2,3)28(26)20-31(21)37-30-17-8-7-16-29(30)36-34(37)25-14-10-13-24-23-12-5-9-18-32(23)38-33(24)25;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-13,15-20H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 964.30 g/mol, XLogP of 13.30, 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-(3,9,9-trimethylfluoren-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 165161686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).