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

C42H49IrN3OSi-2 — CID 155611465

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

iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 155611465) has the molecular formula C42H49IrN3OSi-2 and a molecular weight of 832.18 g/mol. Its IUPAC name is iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 155611465
• Molecular Formula: C42H49IrN3OSi-2
• Molecular Weight: 832.18 g/mol
• Exact Mass: 832.33
• IUPAC Name: iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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(-c3cc(C(C)C(C)C)ccn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C24H25N2O.C18H24NSi.Ir/c1-14(2)16(5)17-11-12-25-22(13-17)20-8-6-7-18-19-9-10-21(15(3)4)26-24(19)27-23(18)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-7,9-16H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: IXGYQFKXLRIYFI-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.18
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 155611465) is iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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(-c3cc(C(C)C(C)C)ccn3)[c-]ccc12.[Ir].

What is the InChIKey of iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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 IXGYQFKXLRIYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2O.C18H24NSi.Ir/c1-14(2)16(5)17-11-12-25-22(13-17)20-8-6-7-18-19-9-10-21(15(3)4)26-24(19)27-23(18)20;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-7,9-16H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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 832.18 g/mol, XLogP of 11.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-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 155611465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).