iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C39H43IrN3OSi-2 — CID 155611614

About iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 155611614) has the molecular formula C39H43IrN3OSi-2 and a molecular weight of 790.10 g/mol. Its IUPAC name is iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 155611614
• Molecular Formula: C39H43IrN3OSi-2
• Molecular Weight: 790.10 g/mol
• Exact Mass: 790.28
• IUPAC Name: iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cnc(-c2[c-]ncc3c2oc2ccccc23)cc1CC(C)C.[Ir]
• InChI: InChI=1S/C21H19N2O.C18H24NSi.Ir/c1-13(2)8-15-9-19(23-10-14(15)3)18-12-22-11-17-16-6-4-5-7-20(16)24-21(17)18;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-11,13H,8H2,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: JBNZAPXJCXONCA-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.10
LogP ≤ 5	9.64
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;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 155611614) is iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cnc(-c2[c-]ncc3c2oc2ccccc23)cc1CC(C)C.[Ir].

What is the InChIKey of iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is JBNZAPXJCXONCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O.C18H24NSi.Ir/c1-13(2)8-15-9-19(23-10-14(15)3)18-12-22-11-17-16-6-4-5-7-20(16)24-21(17)18;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-7,9-11,13H,8H2,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 790.10 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 155611614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).