C130H85Eu5F18N10O10S+5 — CID 158277623
europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium (PubChem CID 158277623) has the molecular formula C130H85Eu5F18N10O10S+5 and a molecular weight of 3081.02 g/mol. Its IUPAC name is europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium.
| Compound Name | europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium |
|---|---|
| PubChem CID | 158277623 |
| Molecular Formula | C130H85Eu5F18N10O10S+5 |
| Molecular Weight | 3081.02 g/mol |
| Exact Mass | 3084.19 |
| IUPAC Name | europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium |
| SMILES | [Eu].[Eu].[Eu].[Eu].[Eu].[H]/[O+]=C(/C=C(O)C(F)(F)F)c1ccc2ccc3ccccc3c2c1.[H]/[O+]=C(/C=C(O)C(F)(F)F)c1cccc2ccccc12.[H]/[O+]=C(/C=C(O)C(F)(F)F)c1cccs1.[H]/[O+]=C(/C=C(O)c1c(F)c(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F.[H]/[O+]=C(/C=C(O)c1ccccc1)c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
| InChI | InChI=1S/C18H11F3O2.C15H3F9O2.C15H12O2.C14H9F3O2.5C12H8N2.C8H5F3O2S.5Eu/c19-18(20,21)17(23)10-16(22)13-8-7-12-6-5-11-3-1-2-4-14(11)15(12)9-13;16-4-1-3(8(17)12(21)9(4)18)5(25)2-6(26)7-10(19)13(22)15(24)14(23)11(7)20;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;15-14(16,17)13(19)8-12(18)11-7-3-5-9-4-1-2-6-10(9)11;5*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;;/h1-10,23H;1-2,26H;1-11,16H;1-8,19H;5*1-8H;1-4,13H;;;;;/p+5 |
| InChIKey | DPJMJLAGJCGDMC-UHFFFAOYSA-S |
| XLogP | 32.80 |
| TPSA | 337.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3081.02 |
| LogP ≤ 5 | 32.80 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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