C160H126Ir4N10O6SSi-8 — CID 159374135
10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;4,5-dimethyl-2-phenylpyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;tetrakis(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine (PubChem CID 159374135) has the molecular formula C160H126Ir4N10O6SSi-8 and a molecular weight of 3116.87 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;4,5-dimethyl-2-phenylpyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;tetrakis(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine.
| Compound Name | 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;4,5-dimethyl-2-phenylpyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;tetrakis(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine |
|---|---|
| PubChem CID | 159374135 |
| Molecular Formula | C160H126Ir4N10O6SSi-8 |
| Molecular Weight | 3116.87 g/mol |
| Exact Mass | 3117.81 |
| IUPAC Name | 10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;4,5-dimethyl-2-phenylpyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;tetrakis(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine |
| SMILES | CC(C)(C)c1ccc(N2c3ccccc3Oc3c(-c4nccc5sccc45)[c-]ccc32)cc1.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccc4ccccc4n3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.[c-]1ccc2c(c1-c1nccc3occc13)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C33H22NOSi.C29H23N2OS.C24H19N2O.C19H10NO3.C17H18N.C14H14N.C13H12N.C11H8N.4Ir/c1-3-13-25(14-4-1)36(26-15-5-2-6-16-26)30-20-10-9-19-29(30)35-33-28(18-11-21-31(33)36)32-27-17-8-7-12-24(27)22-23-34-32;1-29(2,3)19-11-13-20(14-12-19)31-23-8-4-5-10-25(23)32-28-22(7-6-9-24(28)31)27-21-16-18-33-26(21)15-17-30-27;1-15-11-14-22-23(16(15)2)27-24-18(8-6-10-21(24)26(22)3)20-13-12-17-7-4-5-9-19(17)25-20;1-2-6-16-15(5-1)22-17-7-3-4-13(19(17)23-16)18-12-9-11-21-14(12)8-10-20-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-17,19-23H;4-6,8-18H,1-3H3;4-7,9-14H,1-3H3;1-3,5-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;/q8*-1;;;;/i;;3D3;;;;;;;;; |
| InChIKey | SCHABYAPCPIIJM-SSLXIWEXSA-N |
| XLogP | 38.98 |
| TPSA | 168.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3116.87 |
| LogP ≤ 5 | 38.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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