C172H169Ir5N15O5Si5-10 — CID 163593436
8-(4-tert-butyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis((4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane);pentakis(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 163593436) has the molecular formula C172H169Ir5N15O5Si5-10 and a molecular weight of 3627.86 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis((4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane);pentakis(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
| Compound Name | 8-(4-tert-butyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis((4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane);pentakis(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide |
|---|---|
| PubChem CID | 163593436 |
| Molecular Formula | C172H169Ir5N15O5Si5-10 |
| Molecular Weight | 3627.86 g/mol |
| Exact Mass | 3629.05 |
| IUPAC Name | 8-(4-tert-butyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis((4-ethyl-6-phenyl-3-pyridinyl)-trimethylsilane);pentakis(iridium);8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide |
| SMILES | CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1 |
| InChI | InChI=1S/2C20H17N2O.C19H15N2O.C17H11N2O.C16H9N2O.5C16H20NSi.5Ir/c1-20(2,3)13-9-11-21-17(12-13)16-7-4-6-14-15-8-5-10-22-19(15)23-18(14)16;1-13(2)11-14-8-10-21-18(12-14)17-6-3-5-15-16-7-4-9-22-20(16)23-19(15)17;1-12(2)13-8-10-20-17(11-13)16-6-3-5-14-15-7-4-9-21-19(15)22-18(14)16;1-11-7-9-18-15(10-11)14-5-2-4-12-13-6-3-8-19-17(13)20-16(12)14;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;5*1-5-13-11-15(14-9-7-6-8-10-14)17-12-16(13)18(2,3)4;;;;;/h4-6,8-12H,1-3H3;3-5,7-10,12-13H,11H2,1-2H3;3-5,7-12H,1-2H3;2-4,6-10H,1H3;1-5,7-10H;5*6-9,11-12H,5H2,1-4H3;;;;;/q10*-1;;;;; |
| InChIKey | MSMWBEDSFJOBCS-UHFFFAOYSA-N |
| XLogP | 41.41 |
| TPSA | 259.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3627.86 |
| LogP ≤ 5 | 41.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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