Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C₄₆H₄₃F₃IrN₄OSi-2 — CID 156670078

About Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156670078) has the molecular formula C₄₆H₄₃F₃IrN₄OSi-2 and a molecular weight of 945.17 g/mol. Its IUPAC name is iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156670078
• Molecular Formula: C₄₆H₄₃F₃IrN₄OSi-2
• Molecular Weight: 945.17 g/mol
• Exact Mass: 945.28
• IUPAC Name: iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c(C)c1.[Ir]
• InChI: InChI=1S/C28H19F3N3O.C18H24NSi.Ir/c1-15-13-16(2)24(17(3)14-15)34-22-10-5-4-9-21(22)32-26(34)20-8-6-7-18-19-11-12-23(28(29,30)31)33-27(19)35-25(18)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-14H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: VRBMGFNOFFOIGN-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.17
LogP ≤ 5	12.02
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 Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156670078) is iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c(C)c1.[Ir].

What is the InChIKey of Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is VRBMGFNOFFOIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N3O.C18H24NSi.Ir/c1-15-13-16(2)24(17(3)14-15)34-22-10-5-4-9-21(22)32-26(34)20-8-6-7-18-19-11-12-23(28(29,30)31)33-27(19)35-25(18)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-14H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 945.17 g/mol, XLogP of 12.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Iridium;2-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156670078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156670078 — identifiers, structure, computed properties (public domain)

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