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

C33H31GeIrN3O-2 — CID 162776734

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

iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (PubChem CID 162776734) has the molecular formula C33H31GeIrN3O-2 and a molecular weight of 750.46 g/mol. Its IUPAC name is iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• PubChem CID: 162776734
• Molecular Formula: C33H31GeIrN3O-2
• Molecular Weight: 750.46 g/mol
• Exact Mass: 752.13
• IUPAC Name: iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• SMILES: CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1
• InChI: InChI=1S/C17H22GeN.C16H9N2O.Ir/c1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;/h6-9,11-13H,1-5H3;1-5,7-10H;/q2*-1
• InChIKey: GPSZQJKUFDCJGW-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.46
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (CID 162776734) is iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

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

The canonical SMILES for iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.

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

The InChIKey is GPSZQJKUFDCJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22GeN.C16H9N2O.Ir/c1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;/h6-9,11-13H,1-5H3;1-5,7-10H;/q2*-1;.

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

iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane has a molecular weight of 750.46 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is sourced from PubChem (CID 162776734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).