C195H166Ir4N14O3SeSi-8 — CID 159156578
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (PubChem CID 159156578) has the molecular formula C195H166Ir4N14O3SeSi-8 and a molecular weight of 3629.48 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide.
| Compound Name | 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide |
|---|---|
| PubChem CID | 159156578 |
| Molecular Formula | C195H166Ir4N14O3SeSi-8 |
| Molecular Weight | 3629.48 g/mol |
| Exact Mass | 3631.08 |
| IUPAC Name | 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide |
| SMILES | CC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1 |
| InChI | InChI=1S/C29H31N2.C29H20NSi.C28H28NO.C24H17N2.C24H16NOSe.C21H19N2O.C21H19N2.C19H16N3.4Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-21(2)16-10-4-5-13-19(16)23(3)20-15(9-8-11-17(20)21)18-12-6-7-14-22-18;1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;;;;/h6-10,16-22H,2-5,11-14H2,1H3;1-17,19-21H;6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;2-8,10-15H,1H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;3-7,9-13H,1-2H3;;;;/q8*-1;;;; |
| InChIKey | RUUCPFGHRJRIQU-UHFFFAOYSA-N |
| XLogP | 45.74 |
| TPSA | 155.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3629.48 |
| LogP ≤ 5 | 45.74 |
| 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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