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

C47H51GeIrN3O-2 — CID 155612600

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

2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155612600) has the molecular formula C47H51GeIrN3O-2 and a molecular weight of 938.77 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155612600
• Molecular Formula: C47H51GeIrN3O-2
• Molecular Weight: 938.77 g/mol
• Exact Mass: 940.29
• IUPAC Name: 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc(C)c1-c1cc(C)c2c(n1)oc1c(-c3cc(CC(C)C)ccn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C29H27N2O.C18H24GeN.Ir/c1-17(2)14-21-12-13-30-24(16-21)22-10-7-11-23-27-20(5)15-25(31-29(27)32-28(22)23)26-18(3)8-6-9-19(26)4;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-9,11-13,15-17H,14H2,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: PLWGRDLDDJEHGC-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.77
LogP ≤ 5	11.92
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 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 155612600) is 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc(C)c1-c1cc(C)c2c(n1)oc1c(-c3cc(CC(C)C)ccn3)[c-]ccc12.[Ir].

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

The InChIKey is PLWGRDLDDJEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N2O.C18H24GeN.Ir/c1-17(2)14-21-12-13-30-24(16-21)22-10-7-11-23-27-20(5)15-25(31-29(27)32-28(22)23)26-18(3)8-6-9-19(26)4;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-9,11-13,15-17H,14H2,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 938.77 g/mol, XLogP of 11.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155612600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).