C115H72F8N12O2Pt4 — CID 162058113
6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;tris(platinum(2+)) (PubChem CID 162058113) has the molecular formula C115H72F8N12O2Pt4 and a molecular weight of 2586.22 g/mol. Its IUPAC name is 6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;tris(platinum(2+)).
| Compound Name | 6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;tris(platinum(2+)) |
|---|---|
| PubChem CID | 162058113 |
| Molecular Formula | C115H72F8N12O2Pt4 |
| Molecular Weight | 2586.22 g/mol |
| Exact Mass | 2584.44 |
| IUPAC Name | 6-(2,4-difluorobenzene-6-id-1-yl)-N-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;tris(platinum(2+)) |
| SMILES | CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.Fc1c[c-]c(-c2cccc(N(c3ccccc3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Oc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4O)nc3c2n1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1 |
| InChI | InChI=1S/C36H24N2O2.C28H15F4N3.C28H19N3.C23H14F4N4.4Pt/c39-33-17-9-7-15-27(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;29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32;1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-23(2,17-7-3-5-15(28-17)13-9-11-19(24)30-21(13)26)18-8-4-6-16(29-18)14-10-12-20(25)31-22(14)27;;;;/h1-22,39-40H;1-13,16-17H;1-19H;3-8,11-12H,1-2H3;;;;/q;3*-2;;3*+2 |
| InChIKey | SFBKARCWCODYOO-UHFFFAOYSA-N |
| XLogP | 28.25 |
| TPSA | 175.84 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 141 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2586.22 |
| LogP ≤ 5 | 28.25 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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