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

C42H41GeIrN3O-2 — CID 155612009

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

iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (PubChem CID 155612009) has the molecular formula C42H41GeIrN3O-2 and a molecular weight of 868.64 g/mol. Its IUPAC name is iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• PubChem CID: 155612009
• Molecular Formula: C42H41GeIrN3O-2
• Molecular Weight: 868.64 g/mol
• Exact Mass: 870.21
• IUPAC Name: iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]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.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cnc(-c4ccccc4)cc23)c1.[Ir]
• InChI: InChI=1S/C25H19N2O.C17H22GeN.Ir/c1-16(2)18-11-12-26-23(13-18)20-10-6-9-19-21-14-22(17-7-4-3-5-8-17)27-15-24(21)28-25(19)20;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-9,11-16H,1-2H3;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: QKPVZVMAXJGEIG-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.64
LogP ≤ 5	10.85
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;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The IUPAC name of iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (CID 155612009) is iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

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

The canonical SMILES for iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]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.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cnc(-c4ccccc4)cc23)c1.[Ir].

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

The InChIKey is QKPVZVMAXJGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2O.C17H22GeN.Ir/c1-16(2)18-11-12-26-23(13-18)20-10-6-9-19-21-14-22(17-7-4-3-5-8-17)27-15-24(21)28-25(19)20;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-9,11-16H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;.

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

iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane has a molecular weight of 868.64 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is sourced from PubChem (CID 155612009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).