C110H85DyF10N14O4Pt3Tb- — CID 158629848
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;4-hydroxypent-3-en-2-one;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (PubChem CID 158629848) has the molecular formula C110H85DyF10N14O4Pt3Tb- and a molecular weight of 2763.62 g/mol. Its IUPAC name is 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;4-hydroxypent-3-en-2-one;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.
| Compound Name | 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;4-hydroxypent-3-en-2-one;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one |
|---|---|
| PubChem CID | 158629848 |
| Molecular Formula | C110H85DyF10N14O4Pt3Tb- |
| Molecular Weight | 2763.62 g/mol |
| Exact Mass | 2763.42 |
| IUPAC Name | 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;4-hydroxypent-3-en-2-one;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine;bis(1,10-phenanthroline);2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum;bis(platinum(2+));terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-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.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cn4)n3)n2)n1.O=C(C=C(O)c1ccccc1)C(F)(F)F.[Dy].[Pt+2].[Pt+2].[Pt].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
| InChI | InChI=1S/C25H16F4N2.C25H20N2.C21H18F3N6.2C12H8N2.C10H7F3O2.C5H8O2.Dy.3Pt.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;1-14-10-11-29(28-14)18-8-4-6-16(26-18)20(2,3)17-7-5-9-19(27-17)30-13-15(12-25-30)21(22,23)24;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;1-4(6)3-5(2)7;;;;;/h3-10,13-14H,1-2H3;3-11,13,15-18H,1-2H3;4-10,12-13H,1-3H3;2*1-8H;1-6,14H;3,6H,1-2H3;;;;;/q2*-2;-1;;;;;;;2*+2; |
| InChIKey | IHVMJLCCQWJKMU-UHFFFAOYSA-N |
| XLogP | 25.64 |
| TPSA | 239.14 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2763.62 |
| LogP ≤ 5 | 25.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 18 |
| 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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