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

C40H42IrN4OSi-2 — CID 156668291

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

iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156668291) has the molecular formula C40H42IrN4OSi-2 and a molecular weight of 815.11 g/mol. Its IUPAC name is iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-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;8-(1-methylbenzimidazol-2-yl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156668291
• Molecular Formula: C40H42IrN4OSi-2
• Molecular Weight: 815.11 g/mol
• Exact Mass: 815.28
• IUPAC Name: iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-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.CC(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C22H18N3O.C18H24NSi.Ir/c1-13(2)17-12-11-15-14-7-6-8-16(20(14)26-22(15)24-17)21-23-18-9-4-5-10-19(18)25(21)3;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: SCINZUMMBMKNFL-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.11
LogP ≤ 5	9.75
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;8-(1-methylbenzimidazol-2-yl)-2-propan-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;8-(1-methylbenzimidazol-2-yl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156668291) is iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-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;8-(1-methylbenzimidazol-2-yl)-2-propan-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;8-(1-methylbenzimidazol-2-yl)-2-propan-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.CC(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)[c-]ccc12.[Ir].

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

The InChIKey is SCINZUMMBMKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N3O.C18H24NSi.Ir/c1-13(2)17-12-11-15-14-7-6-8-16(20(14)26-22(15)24-17)21-23-18-9-4-5-10-19(18)25(21)3;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-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 815.11 g/mol, XLogP of 9.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-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 156668291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).