8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

C201H221Ir5N15O5Si5-10 — CID 163646006

IUPAC8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
SMILESCC(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.CC(C)c1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC1CCCC1.Cc1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1CC1CCCC1.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)(C)C.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nccc2c1CCCC2
InChIInChI=1S/C25H25N2O.C23H21N2O.C22H21N2O.C21H19N2O.C20H15N2O.5C18H24NSi.5Ir/c1-16(2)22-15-27-23(14-18(22)13-17-7-3-4-8-17)21-10-5-9-19-20-11-6-12-26-25(20)28-24(19)21;1-15-12-21(25-14-17(15)13-16-6-2-3-7-16)20-9-4-8-18-19-10-5-11-24-23(19)26-22(18)20;1-14-13-24-19(11-15(14)12-22(2,3)4)18-8-5-7-16-17-9-6-10-23-21(17)25-20(16)18;1-13(2)10-15-11-19(23-12-14(15)3)18-7-4-6-16-17-8-5-9-22-21(17)24-20(16)18;1-2-6-14-13(5-1)10-12-21-18(14)17-8-3-7-15-16-9-4-11-22-20(16)23-19(15)17;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h5-6,9,11-12,14-17H,3-4,7-8,13H2,1-2H3;4-5,8,10-12,14,16H,2-3,6-7,13H2,1H3;5-7,9-11,13H,12H2,1-4H3;4-6,8-9,11-13H,10H2,1-3H3;3-4,7,9-12H,1-2,5-6H2;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;
InChIKeyBTLICUKACJBUQZ-UHFFFAOYSA-N
MW4028.59 g/mol
LogP49.85
Rot. Bonds33

About 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)

8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (PubChem CID 163646006) has the molecular formula C201H221Ir5N15O5Si5-10 and a molecular weight of 4028.59 g/mol. Its IUPAC name is 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).

Molecular Properties

Compound Name8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
PubChem CID163646006
Molecular FormulaC201H221Ir5N15O5Si5-10
Molecular Weight4028.59 g/mol
Exact Mass4029.45
IUPAC Name8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
SMILESCC(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.CC(C)c1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC1CCCC1.Cc1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1CC1CCCC1.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)(C)C.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nccc2c1CCCC2
InChIInChI=1S/C25H25N2O.C23H21N2O.C22H21N2O.C21H19N2O.C20H15N2O.5C18H24NSi.5Ir/c1-16(2)22-15-27-23(14-18(22)13-17-7-3-4-8-17)21-10-5-9-19-20-11-6-12-26-25(20)28-24(19)21;1-15-12-21(25-14-17(15)13-16-6-2-3-7-16)20-9-4-8-18-19-10-5-11-24-23(19)26-22(18)20;1-14-13-24-19(11-15(14)12-22(2,3)4)18-8-5-7-16-17-9-6-10-23-21(17)25-20(16)18;1-13(2)10-15-11-19(23-12-14(15)3)18-7-4-6-16-17-8-5-9-22-21(17)24-20(16)18;1-2-6-14-13(5-1)10-12-21-18(14)17-8-3-7-15-16-9-4-11-22-20(16)23-19(15)17;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h5-6,9,11-12,14-17H,3-4,7-8,13H2,1-2H3;4-5,8,10-12,14,16H,2-3,6-7,13H2,1H3;5-7,9-11,13H,12H2,1-4H3;4-6,8-9,11-13H,10H2,1-3H3;3-4,7,9-12H,1-2,5-6H2;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;
InChIKeyBTLICUKACJBUQZ-UHFFFAOYSA-N
XLogP49.85
TPSA259.05 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004028.59
LogP ≤ 549.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The IUPAC name of 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (CID 163646006) is 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-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-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The canonical SMILES for 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is 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.CC(C)c1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC1CCCC1.Cc1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1CC1CCCC1.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)(C)C.Cc1cnc(-c2[c-]ccc3c2oc2ncccc23)cc1CC(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1nccc2c1CCCC2.
What is the InChIKey of 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
The InChIKey is BTLICUKACJBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O.C23H21N2O.C22H21N2O.C21H19N2O.C20H15N2O.5C18H24NSi.5Ir/c1-16(2)22-15-27-23(14-18(22)13-17-7-3-4-8-17)21-10-5-9-19-20-11-6-12-26-25(20)28-24(19)21;1-15-12-21(25-14-17(15)13-16-6-2-3-7-16)20-9-4-8-18-19-10-5-11-24-23(19)26-22(18)20;1-14-13-24-19(11-15(14)12-22(2,3)4)18-8-5-7-16-17-9-6-10-23-21(17)25-20(16)18;1-13(2)10-15-11-19(23-12-14(15)3)18-7-4-6-16-17-8-5-9-22-21(17)24-20(16)18;1-2-6-14-13(5-1)10-12-21-18(14)17-8-3-7-15-16-9-4-11-22-20(16)23-19(15)17;5*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;;/h5-6,9,11-12,14-17H,3-4,7-8,13H2,1-2H3;4-5,8,10-12,14,16H,2-3,6-7,13H2,1H3;5-7,9-11,13H,12H2,1-4H3;4-6,8-9,11-13H,10H2,1-3H3;3-4,7,9-12H,1-2,5-6H2;5*6-9,12-14H,11H2,1-5H3;;;;;/q10*-1;;;;;.
What are the key properties of 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)?
8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) has a molecular weight of 4028.59 g/mol, XLogP of 49.85, 33 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) is sourced from PubChem (CID 163646006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).