2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)

C195H164Ir6N18O6-12 — CID 160924969

About 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)

2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine) (PubChem CID 160924969) has the molecular formula C195H164Ir6N18O6-12 and a molecular weight of 4008.88 g/mol. Its IUPAC name is 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)
• PubChem CID: 160924969
• Molecular Formula: C195H164Ir6N18O6-12
• Molecular Weight: 4008.88 g/mol
• Exact Mass: 4011.09
• IUPAC Name: 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)
• SMILES: CCc1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C4CCCC4)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C4CCCCC4)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(CC(C)C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(CC)ccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H23N2O.C23H21N2O.C22H21N2O.C21H19N2O.C20H17N2O.C19H15N2O.6C11H8N.6Ir/c1-2-16-13-14-25-22(15-16)20-10-6-9-18-19-11-12-21(17-7-4-3-5-8-17)26-24(19)27-23(18)20;1-2-15-12-13-24-21(14-15)19-9-5-8-17-18-10-11-20(16-6-3-4-7-16)25-23(18)26-22(17)19;1-4-15-10-11-23-20(13-15)19-7-5-6-17-18-9-8-16(12-14(2)3)24-22(18)25-21(17)19;1-4-14-10-11-22-19(12-14)17-7-5-6-15-16-8-9-18(13(2)3)23-21(16)24-20(15)17;1-3-13-10-11-21-18(12-13)17-7-5-6-15-16-9-8-14(4-2)22-20(16)23-19(15)17;1-3-13-9-10-20-17(11-13)16-6-4-5-14-15-8-7-12(2)21-19(15)22-18(14)16;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h6,9,11-15,17H,2-5,7-8H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-11,13-14H,4,12H2,1-3H3;5-6,8-13H,4H2,1-3H3;5-6,8-12H,3-4H2,1-2H3;4-5,7-11H,3H2,1-2H3;6*1-6,8-9H;;;;;;/q12*-1
• InChIKey: HTVONWLTMOJLGF-UHFFFAOYSA-N
• XLogP: 48.61
• TPSA: 310.86 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4008.88
LogP ≤ 5	48.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)?

The IUPAC name of 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine) (CID 160924969) is 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine).

What is the SMILES notation for 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)?

The canonical SMILES for 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine) is CCc1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C4CCCC4)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(C4CCCCC4)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(CC(C)C)ccc23)c1.CCc1ccnc(-c2[c-]ccc3c2oc2nc(CC)ccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)?

The InChIKey is HTVONWLTMOJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2O.C23H21N2O.C22H21N2O.C21H19N2O.C20H17N2O.C19H15N2O.6C11H8N.6Ir/c1-2-16-13-14-25-22(15-16)20-10-6-9-18-19-11-12-21(17-7-4-3-5-8-17)26-24(19)27-23(18)20;1-2-15-12-13-24-21(14-15)19-9-5-8-17-18-10-11-20(16-6-3-4-7-16)25-23(18)26-22(17)19;1-4-15-10-11-23-20(13-15)19-7-5-6-17-18-9-8-16(12-14(2)3)24-22(18)25-21(17)19;1-4-14-10-11-22-19(12-14)17-7-5-6-15-16-8-9-18(13(2)3)23-21(16)24-20(15)17;1-3-13-10-11-21-18(12-13)17-7-5-6-15-16-9-8-14(4-2)22-20(16)23-19(15)17;1-3-13-9-10-20-17(11-13)16-6-4-5-14-15-8-7-12(2)21-19(15)22-18(14)16;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h6,9,11-15,17H,2-5,7-8H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-11,13-14H,4,12H2,1-3H3;5-6,8-13H,4H2,1-3H3;5-6,8-12H,3-4H2,1-2H3;4-5,7-11H,3H2,1-2H3;6*1-6,8-9H;;;;;;/q12*-1;;;;;;.

What are the key properties of 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine)?

2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine) has a molecular weight of 4008.88 g/mol, XLogP of 48.61, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-cyclopentyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-ethyl-8-(4-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-(2-methylpropyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-ethyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;hexakis(iridium);hexakis(2-phenylpyridine) is sourced from PubChem (CID 160924969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).