C156H104F4N10O10Pt5 — CID 160701107
2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol;2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum (PubChem CID 160701107) has the molecular formula C156H104F4N10O10Pt5 and a molecular weight of 3329.99 g/mol. Its IUPAC name is 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol;2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum.
| Compound Name | 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol;2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum |
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| PubChem CID | 160701107 |
| Molecular Formula | C156H104F4N10O10Pt5 |
| Molecular Weight | 3329.99 g/mol |
| Exact Mass | 3327.61 |
| IUPAC Name | 2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol;2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum |
| SMILES | Cc1cc(-c2ccccc2O)nc2c1ccc1c(C)cc(-c3ccccc3O)nc12.Oc1cc(F)cc(F)c1-c1cccc(-c2cccc(-c3c(O)cc(F)cc3F)n2)n1.Oc1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccc4O)nc3c2n1.Oc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4O)nc3c2n1.Oc1ccccc1-c1ccc2ccc3ccc(-c4ccccc4O)nc3c2n1.[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C48H32N2O2.C36H24N2O2.C26H20N2O2.C24H16N2O2.C22H12F4N2O2.5Pt/c51-45-25-21-35(31-13-5-1-6-14-31)27-41(45)43-29-39(33-17-9-3-10-18-33)37-23-24-38-40(34-19-11-4-12-20-34)30-44(50-48(38)47(37)49-43)42-28-36(22-26-46(42)52)32-15-7-2-8-16-32;39-33-17-9-7-15-27(33)31-21-29(23-11-3-1-4-12-23)25-19-20-26-30(24-13-5-2-6-14-24)22-32(38-36(26)35(25)37-31)28-16-8-10-18-34(28)40;1-15-13-21(19-7-3-5-9-23(19)29)27-25-17(15)11-12-18-16(2)14-22(28-26(18)25)20-8-4-6-10-24(20)30;27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;23-11-7-13(25)21(19(29)9-11)17-5-1-3-15(27-17)16-4-2-6-18(28-16)22-14(26)8-12(24)10-20(22)30;;;;;/h1-30,51-52H;1-22,39-40H;3-14,29-30H,1-2H3;1-14,27-28H;1-10,29-30H;;;;; |
| InChIKey | QSHZYKGNDQDRNZ-UHFFFAOYSA-N |
| XLogP | 38.16 |
| TPSA | 331.20 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3329.99 |
| LogP ≤ 5 | 38.16 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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