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

C41H41F3IrN4OSi-2 — CID 156671913

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

8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156671913) has the molecular formula C41H41F3IrN4OSi-2 and a molecular weight of 883.10 g/mol. Its IUPAC name is 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156671913
• Molecular Formula: C41H41F3IrN4OSi-2
• Molecular Weight: 883.10 g/mol
• Exact Mass: 883.26
• IUPAC Name: 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C23H17F3N3O.C18H24NSi.Ir/c1-22(2,3)29-17-10-5-4-9-16(17)27-20(29)15-8-6-7-13-14-11-12-18(23(24,25)26)28-21(14)30-19(13)15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-12H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: IXIDXTZMARZNMU-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.10
LogP ≤ 5	10.86
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 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156671913) is 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

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

The canonical SMILES for 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

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

The InChIKey is IXIDXTZMARZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N3O.C18H24NSi.Ir/c1-22(2,3)29-17-10-5-4-9-16(17)27-20(29)15-8-6-7-13-14-11-12-18(23(24,25)26)28-21(14)30-19(13)15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-12H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 883.10 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156671913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).