8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

C204H225Ir5N15O5Si5-10 — CID 163823591

About 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (PubChem CID 163823591) has the molecular formula C204H225Ir5N15O5Si5-10 and a molecular weight of 4068.66 g/mol. Its IUPAC name is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
• PubChem CID: 163823591
• Molecular Formula: C204H225Ir5N15O5Si5-10
• Molecular Weight: 4068.66 g/mol
• Exact Mass: 4069.49
• IUPAC Name: 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
• SMILES: CC(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCC1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.CCC(CC)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1cc(C2CCCCC2)ccn1.[c-]1ccc2c(oc3ncccc32)c1-c1cc(CC2CC3CCC2CC3)ccn1
• InChI: InChI=1S/C25H23N2O.C24H23N2O.C22H19N2O.C22H21N2O.C21H19N2O.5C18H24NSi.5Ir/c1-3-20-21-5-2-11-27-25(21)28-24(20)22(4-1)23-15-17(10-12-26-23)14-19-13-16-6-8-18(19)9-7-16;1-24(2,16-7-3-4-8-16)17-12-14-25-21(15-17)20-10-5-9-18-19-11-6-13-26-23(19)27-22(18)20;1-2-6-15(7-3-1)16-11-13-23-20(14-16)19-9-4-8-17-18-10-5-12-24-22(18)25-21(17)19;1-4-22(3,5-2)15-11-13-23-19(14-15)18-9-6-8-16-17-10-7-12-24-21(17)25-20(16)18;1-3-14(4-2)15-10-12-22-19(13-15)18-8-5-7-16-17-9-6-11-23-21(17)24-20(16)18;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h1-3,5,10-12,15-16,18-19H,6-9,13-14H2;5-6,9,11-16H,3-4,7-8H2,1-2H3;4-5,8,10-15H,1-3,6-7H2;6-8,10-14H,4-5H2,1-3H3;5-7,9-14H,3-4H2,1-2H3;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1
• InChIKey: BERSZPVVHXNVMT-UHFFFAOYSA-N
• XLogP: 51.53
• TPSA: 259.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4068.66
LogP ≤ 5	51.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The IUPAC name of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (CID 163823591) is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

What is the SMILES notation for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The canonical SMILES for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is CC(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCC1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.CCC(CC)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1cc(C2CCCCC2)ccn1.[c-]1ccc2c(oc3ncccc32)c1-c1cc(CC2CC3CCC2CC3)ccn1.

What is the InChIKey of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

The InChIKey is BERSZPVVHXNVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O.C24H23N2O.C22H19N2O.C22H21N2O.C21H19N2O.5C18H24NSi.5Ir/c1-3-20-21-5-2-11-27-25(21)28-24(20)22(4-1)23-15-17(10-12-26-23)14-19-13-16-6-8-18(19)9-7-16;1-24(2,16-7-3-4-8-16)17-12-14-25-21(15-17)20-10-5-9-18-19-11-6-13-26-23(19)27-22(18)20;1-2-6-15(7-3-1)16-11-13-23-20(14-16)19-9-4-8-17-18-10-5-12-24-22(18)25-21(17)19;1-4-22(3,5-2)15-11-13-23-19(14-15)18-9-6-8-16-17-10-7-12-24-21(17)25-20(16)18;1-3-14(4-2)15-10-12-22-19(13-15)18-8-5-7-16-17-9-6-11-23-21(17)24-20(16)18;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h1-3,5,10-12,15-16,18-19H,6-9,13-14H2;5-6,9,11-16H,3-4,7-8H2,1-2H3;4-5,8,10-15H,1-3,6-7H2;6-8,10-14H,4-5H2,1-3H3;5-7,9-14H,3-4H2,1-2H3;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;.

What are the key properties of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) has a molecular weight of 4068.66 g/mol, XLogP of 51.53, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is sourced from PubChem (CID 163823591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).