C129H92DyEuF10IrN10O6Pt2STb-2 — CID 158191441
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one (PubChem CID 158191441) has the molecular formula C129H92DyEuF10IrN10O6Pt2STb-2 and a molecular weight of 3156.03 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one.
| Compound Name | 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one |
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| PubChem CID | 158191441 |
| Molecular Formula | C129H92DyEuF10IrN10O6Pt2STb-2 |
| Molecular Weight | 3156.03 g/mol |
| Exact Mass | 3157.35 |
| IUPAC Name | 10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;dysprosium;europium;4-hydroxypent-3-en-2-one;iridium;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one |
| SMILES | CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Pt+2].[Pt+2].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
| InChI | InChI=1S/C25H16F4N2.C25H20N2.C19H12N.C13H8N.2C12H8N2.C10H7F3O2.C8H5F3O2S.C5H8O2.Dy.Eu.Ir.2Pt.Tb/c1-25(2,23-7-3-5-21(30-23)17-11-9-15(26)13-19(17)28)24-8-4-6-22(31-24)18-12-10-16(27)14-20(18)29;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;1-4(6)3-5(2)7;;;;;;/h3-10,13-14H,1-2H3;3-11,13,15-18H,1-2H3;1-9,11-13H;1-5,7-9H;2*1-8H;1-6,14H;1-4,12H;3,6H,1-2H3;;;;;;/q2*-2;2*-1;;;;;;;;;2*+2; |
| InChIKey | YXSZVWUNAFJXIK-UHFFFAOYSA-N |
| XLogP | 32.16 |
| TPSA | 240.80 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3156.03 |
| LogP ≤ 5 | 32.16 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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