6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)

C135H157Ge3Ir3N9O3-6 — CID 163681405

About 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)

6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium) (PubChem CID 163681405) has the molecular formula C135H157Ge3Ir3N9O3-6 and a molecular weight of 2748.28 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium).

Molecular Properties

• Compound Name: 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)
• PubChem CID: 163681405
• Molecular Formula: C135H157Ge3Ir3N9O3-6
• Molecular Weight: 2748.28 g/mol
• Exact Mass: 2752.90
• IUPAC Name: 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C4CCCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC4CC5CCC4CC5)ccn3)cc12.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C27H29N2O.C26H25N2O.C25H25N2O.3C19H26GeN.3Ir/c1-27(2,3)17-21-10-11-22-23-15-20(9-12-25(23)30-26(22)29-21)24-16-19(13-14-28-24)18-7-5-4-6-8-18;1-16-2-8-22-23-15-20(7-9-25(23)29-26(22)28-16)24-14-18(10-11-27-24)13-21-12-17-3-5-19(21)6-4-17;1-16-8-10-20-21-14-17(9-11-23(21)28-24(20)27-16)22-15-19(12-13-26-22)25(2,3)18-6-4-5-7-18;3*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;/h10-16,18H,4-8,17H2,1-3H3;2,8-11,14-15,17,19,21H,3-6,12-13H2,1H3;8,10-15,18H,4-7H2,1-3H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1
• InChIKey: XMBNAWFRPDQBPG-UHFFFAOYSA-N
• XLogP: 34.66
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.28
LogP ≤ 5	34.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)?

The IUPAC name of 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium) (CID 163681405) is 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium).

What is the SMILES notation for 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)?

The canonical SMILES for 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium) is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)(C)Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C4CCCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC4CC5CCC4CC5)ccn3)cc12.[Ir].[Ir].[Ir].

What is the InChIKey of 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)?

The InChIKey is XMBNAWFRPDQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N2O.C26H25N2O.C25H25N2O.3C19H26GeN.3Ir/c1-27(2,3)17-21-10-11-22-23-15-20(9-12-25(23)30-26(22)29-21)24-16-19(13-14-28-24)18-7-5-4-6-8-18;1-16-2-8-22-23-15-20(7-9-25(23)29-26(22)28-16)24-14-18(10-11-27-24)13-21-12-17-3-5-19(21)6-4-17;1-16-8-10-20-21-14-17(9-11-23(21)28-24(20)27-16)22-15-19(12-13-26-22)25(2,3)18-6-4-5-7-18;3*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;/h10-16,18H,4-8,17H2,1-3H3;2,8-11,14-15,17,19,21H,3-6,12-13H2,1H3;8,10-15,18H,4-7H2,1-3H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1;;;.

What are the key properties of 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium)?

6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium) has a molecular weight of 2748.28 g/mol, XLogP of 34.66, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-(4-cyclohexyl-2-pyridinyl)-2-(2,2-dimethylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);tris(iridium) is sourced from PubChem (CID 163681405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).