2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C53H44F4IrN4OSi-2 — CID 169299531

About 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 169299531) has the molecular formula C53H44F4IrN4OSi-2 and a molecular weight of 1049.26 g/mol. Its IUPAC name is 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 169299531
• Molecular Formula: C53H44F4IrN4OSi-2
• Molecular Weight: 1049.26 g/mol
• Exact Mass: 1049.29
• IUPAC Name: 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2c(C#N)cc(F)cc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[Ir]
• InChI: InChI=1S/C38H29FN3O.C15H15F3NSi.Ir/c1-22(2)30-18-25(24-11-6-5-7-12-24)19-31(23(3)4)35(30)42-34-16-9-8-15-33(34)41-38(42)29-14-10-13-28-32-20-27(39)17-26(21-40)36(32)43-37(28)29;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;/h5-13,15-20,22-23H,1-4H3;4,6-10H,1-3H3;/q2*-1
• InChIKey: UZWIOOGHJKRYPE-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 67.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.26
LogP ≤ 5	14.43
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-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 169299531) is 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2c(C#N)cc(F)cc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[Ir].

What is the InChIKey of 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is UZWIOOGHJKRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29FN3O.C15H15F3NSi.Ir/c1-22(2)30-18-25(24-11-6-5-7-12-24)19-31(23(3)4)35(30)42-34-16-9-8-15-33(34)41-38(42)29-14-10-13-28-32-20-27(39)17-26(21-40)36(32)43-37(28)29;1-20(2,3)13-8-9-14(19-10-13)11-4-6-12(7-5-11)15(16,17)18;/h5-13,15-20,22-23H,1-4H3;4,6-10H,1-3H3;/q2*-1;.

What are the key properties of 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 1049.26 g/mol, XLogP of 14.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 169299531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).