C217H163F6Ir5N13O7SSeSi-10 — CID 161209666
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine (PubChem CID 161209666) has the molecular formula C217H163F6Ir5N13O7SSeSi-10 and a molecular weight of 4278.96 g/mol. Its IUPAC name is 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine.
| Compound Name | 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine |
|---|---|
| PubChem CID | 161209666 |
| Molecular Formula | C217H163F6Ir5N13O7SSeSi-10 |
| Molecular Weight | 4278.96 g/mol |
| Exact Mass | 4280.96 |
| IUPAC Name | 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine |
| SMILES | CC1(C(F)(F)F)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.Cc1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.FC(F)(F)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1 |
| InChI | InChI=1S/C29H20NOSi.C27H28N3.C24H16NOSe.C22H19N2.C22H20NO.C20H13F3N.C20H16NO.C18H9F3NO.C18H12NS.C17H10NO2.5Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;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;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-19(20(21,22)23)16-10-3-2-7-13(16)14-8-6-9-15(18(14)19)17-11-4-5-12-24-17;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;19-18(20,21)11-8-9-22-15(10-11)14-6-3-5-13-12-4-1-2-7-16(12)23-17(13)14;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;;;;;/h1-15,17-21H;5-9,15-21H,1-4,10-13H2;2-8,10-15H,1H3;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-15H,3-4H2,1-2H3;2-8,10-12H,1H3;3-7,9-13H,1-2H3;1-5,7-10H;2-5,7-11H,1H3;1-5,7-11H;;;;;/q10*-1;;;;; |
| InChIKey | CDYDFAFVLGAZFJ-UHFFFAOYSA-N |
| XLogP | 53.68 |
| TPSA | 208.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4278.96 |
| LogP ≤ 5 | 53.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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