6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C175H194Ir4N12O4Si4-8 — CID 163654719

About 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 163654719) has the molecular formula C175H194Ir4N12O4Si4-8 and a molecular weight of 3410.77 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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 163654719
• Molecular Formula: C175H194Ir4N12O4Si4-8
• Molecular Weight: 3410.77 g/mol
• Exact Mass: 3411.30
• IUPAC Name: 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C4CCCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c(C)cn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC4CC5CCC4CC5)ccn3)cc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H25N2O.C25H25N2O.C23H21N2O.C22H21N2O.3C20H26NSi.C19H24NSi.4Ir/c1-16-2-8-22-23-15-20(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;1-15-7-9-19-20-13-18(8-10-22(20)26-23(19)25-15)21-14-17(11-12-24-21)16-5-3-2-4-6-16;1-13(2)9-17-11-20(23-12-14(17)3)16-6-8-21-19(10-16)18-7-5-15(4)24-22(18)25-21;3*1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h2,8-11,14-15,17,19,21H,3-6,12-13H2,1H3;8,10-15,18H,4-7H2,1-3H3;7,9-14,16H,2-6H2,1H3;5,7-8,10-13H,9H2,1-4H3;3*5,8-9,12,14-16H,4,6-7,10-11H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-1
• InChIKey: OAQHOIWHXAYLJC-UHFFFAOYSA-N
• XLogP: 45.16
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3410.77
LogP ≤ 5	45.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 163654719) is 6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCCC1.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(C4CCCCC4)ccn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC(C)C)c(C)cn3)cc12.Cc1ccc2c(n1)oc1c[c-]c(-c3cc(CC4CC5CCC4CC5)ccn3)cc12.[Ir].[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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is OAQHOIWHXAYLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2O.C25H25N2O.C23H21N2O.C22H21N2O.3C20H26NSi.C19H24NSi.4Ir/c1-16-2-8-22-23-15-20(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;1-15-7-9-19-20-13-18(8-10-22(20)26-23(19)25-15)21-14-17(11-12-24-21)16-5-3-2-4-6-16;1-13(2)9-17-11-20(23-12-14(17)3)16-6-8-21-19(10-16)18-7-5-15(4)24-22(18)25-21;3*1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;;;;/h2,8-11,14-15,17,19,21H,3-6,12-13H2,1H3;8,10-15,18H,4-7H2,1-3H3;7,9-14,16H,2-6H2,1H3;5,7-8,10-13H,9H2,1-4H3;3*5,8-9,12,14-16H,4,6-7,10-11H2,1-3H3;4-6,11,13-15H,7-10H2,1-3H3;;;;/q8*-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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

6-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3410.77 g/mol, XLogP of 45.16, 23 rotatable bonds, 0 hydrogen bond donors, and 16 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;tris((4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane);6-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;6-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-6-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 163654719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).