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

C41H47GeIrN3O-2 — CID 155612648

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

iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155612648) has the molecular formula C41H47GeIrN3O-2 and a molecular weight of 862.67 g/mol. Its IUPAC name is iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155612648
• Molecular Formula: C41H47GeIrN3O-2
• Molecular Weight: 862.67 g/mol
• Exact Mass: 864.26
• IUPAC Name: iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3oc4nc(C(C)C)ccc4c3c2)c1.CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C22H21N2O.C19H26GeN.Ir/c1-13(2)15-9-10-23-20(12-15)16-5-8-21-18(11-16)17-6-7-19(14(3)4)24-22(17)25-21;1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;/h6-14H,1-4H3;7-10,13-15H,6,12H2,1-5H3;/q2*-1
• InChIKey: KROJQDMXDJTFLA-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.67
LogP ≤ 5	10.77
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;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane (CID 155612648) is iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is CC(C)c1ccnc(-c2[c-]cc3oc4nc(C(C)C)ccc4c3c2)c1.CCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

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

The InChIKey is KROJQDMXDJTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2O.C19H26GeN.Ir/c1-13(2)15-9-10-23-20(12-15)16-5-8-21-18(11-16)17-6-7-19(14(3)4)24-22(17)25-21;1-6-15(2)12-17-13-19(16-10-8-7-9-11-16)21-14-18(17)20(3,4)5;/h6-14H,1-4H3;7-10,13-15H,6,12H2,1-5H3;/q2*-1;.

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

iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 862.67 g/mol, XLogP of 10.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-propan-2-yl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155612648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).