C152H164Ir4N12O4Si4-8 — CID 160852920
8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) (PubChem CID 160852920) has the molecular formula C152H164Ir4N12O4Si4-8 and a molecular weight of 3104.28 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane).
| Compound Name | 8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) |
|---|---|
| PubChem CID | 160852920 |
| Molecular Formula | C152H164Ir4N12O4Si4-8 |
| Molecular Weight | 3104.28 g/mol |
| Exact Mass | 3105.06 |
| IUPAC Name | 8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane) |
| SMILES | 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)c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(C(C)C)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.Cc1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C23H23N2O.2C20H17N2O.4C18H24NSi.C17H11N2O.4Ir/c1-14(2)19-10-9-17-16-7-6-8-18(21(16)26-22(17)25-19)20-13-15(11-12-24-20)23(3,4)5;1-12(2)17-8-7-15-14-5-4-6-16(19(14)23-20(15)22-17)18-11-13(3)9-10-21-18;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;4*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;;;;/h6-7,9-14H,1-5H3;2*4-5,7-12H,1-3H3;4*6-9,12-14H,11H2,1-5H3;2-5,7-10H,1H3;;;;/q8*-1;;;; |
| InChIKey | JKALREMLLFEMGR-UHFFFAOYSA-N |
| XLogP | 38.13 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3104.28 |
| LogP ≤ 5 | 38.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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