2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C51H38FIrN3OSi-2 — CID 156658615

About 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156658615) has the molecular formula C51H38FIrN3OSi-2 and a molecular weight of 948.19 g/mol. Its IUPAC name is 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156658615
• Molecular Formula: C51H38FIrN3OSi-2
• Molecular Weight: 948.19 g/mol
• Exact Mass: 948.24
• IUPAC Name: 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cc2oc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C37H22FN2O.C14H16NSi.Ir/c38-32-23-35-31(22-30(32)26-12-5-2-6-13-26)28-14-9-15-29(36(28)41-35)37-39-33-16-7-8-17-34(33)40(37)27-20-18-25(19-21-27)24-10-3-1-4-11-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-14,16-23H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: DGIABQIOYWNKPE-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.19
LogP ≤ 5	12.96
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-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156658615) is 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cc2oc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir].

What is the InChIKey of 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is DGIABQIOYWNKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22FN2O.C14H16NSi.Ir/c38-32-23-35-31(22-30(32)26-12-5-2-6-13-26)28-14-9-15-29(36(28)41-35)37-39-33-16-7-8-17-34(33)40(37)27-20-18-25(19-21-27)24-10-3-1-4-11-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-14,16-23H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 948.19 g/mol, XLogP of 12.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156658615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).