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

C47H48IrN4OSi-2 — CID 156667530

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

iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156667530) has the molecular formula C47H48IrN4OSi-2 and a molecular weight of 905.23 g/mol. Its IUPAC name is iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-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-pentan-3-yl-6-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156667530
• Molecular Formula: C47H48IrN4OSi-2
• Molecular Weight: 905.23 g/mol
• Exact Mass: 905.32
• IUPAC Name: iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-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.CCC(CC)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccccc3)cc12.[Ir]
• InChI: InChI=1S/C29H24N3O.C18H24NSi.Ir/c1-3-19(4-2)24-16-15-22-23-18-20(14-17-27(23)33-29(22)31-24)28-30-25-12-8-9-13-26(25)32(28)21-10-6-5-7-11-21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-13,15-19H,3-4H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: RIYGEVHAZOMKMV-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.23
LogP ≤ 5	11.98
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-pentan-3-yl-6-(1-phenylbenzimidazol-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-pentan-3-yl-6-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156667530) is iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-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-pentan-3-yl-6-(1-phenylbenzimidazol-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-pentan-3-yl-6-(1-phenylbenzimidazol-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.CCC(CC)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccccc3)cc12.[Ir].

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

The InChIKey is RIYGEVHAZOMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N3O.C18H24NSi.Ir/c1-3-19(4-2)24-16-15-22-23-18-20(14-17-27(23)33-29(22)31-24)28-30-25-12-8-9-13-26(25)32(28)21-10-6-5-7-11-21;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-13,15-19H,3-4H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-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 905.23 g/mol, XLogP of 11.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-pentan-3-yl-6-(1-phenylbenzimidazol-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 156667530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).