C177H159N13O13Pt6Si-6 — CID 161164437
2-[2-[6-[diphenyl-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]silyl]-2-pyridinyl]propan-2-yl]phenol;platinum;2-[3-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzene-2-id-1-yl]oxyphenol;2-[3-[2-(6-pyridin-2-yloxy-2-pyridinyl)propan-2-yl]benzene-2-id-1-yl]oxyphenol;2-[2-[6-(N-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]anilino)-2-pyridinyl]propan-2-yl]phenol;2-[2-[3-[[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]oxy]benzene-2-id-1-yl]propan-2-yl]phenol;2-[3-[2-[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]oxyphenol (PubChem CID 161164437) has the molecular formula C177H159N13O13Pt6Si-6 and a molecular weight of 3874.85 g/mol. Its IUPAC name is 2-[2-[6-[diphenyl-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]silyl]-2-pyridinyl]propan-2-yl]phenol;platinum;2-[3-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzene-2-id-1-yl]oxyphenol;2-[3-[2-(6-pyridin-2-yloxy-2-pyridinyl)propan-2-yl]benzene-2-id-1-yl]oxyphenol;2-[2-[6-(N-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]anilino)-2-pyridinyl]propan-2-yl]phenol;2-[2-[3-[[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]oxy]benzene-2-id-1-yl]propan-2-yl]phenol;2-[3-[2-[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]oxyphenol.
| Compound Name | 2-[2-[6-[diphenyl-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]silyl]-2-pyridinyl]propan-2-yl]phenol;platinum;2-[3-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzene-2-id-1-yl]oxyphenol;2-[3-[2-(6-pyridin-2-yloxy-2-pyridinyl)propan-2-yl]benzene-2-id-1-yl]oxyphenol;2-[2-[6-(N-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]anilino)-2-pyridinyl]propan-2-yl]phenol;2-[2-[3-[[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]oxy]benzene-2-id-1-yl]propan-2-yl]phenol;2-[3-[2-[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]oxyphenol |
|---|---|
| PubChem CID | 161164437 |
| Molecular Formula | C177H159N13O13Pt6Si-6 |
| Molecular Weight | 3874.85 g/mol |
| Exact Mass | 3871.99 |
| IUPAC Name | 2-[2-[6-[diphenyl-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]silyl]-2-pyridinyl]propan-2-yl]phenol;platinum;2-[3-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzene-2-id-1-yl]oxyphenol;2-[3-[2-(6-pyridin-2-yloxy-2-pyridinyl)propan-2-yl]benzene-2-id-1-yl]oxyphenol;2-[2-[6-(N-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]anilino)-2-pyridinyl]propan-2-yl]phenol;2-[2-[3-[[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]oxy]benzene-2-id-1-yl]propan-2-yl]phenol;2-[3-[2-[6-(2-pyridin-2-ylpropan-2-yl)-2-pyridinyl]propan-2-yl]benzene-2-id-1-yl]oxyphenol |
| SMILES | CC(C)(c1[c-]c(N(c2ccccc2)c2cccc(C(C)(C)c3ccccc3O)n2)ccc1)c1ccccn1.CC(C)(c1[c-]c(Oc2ccccc2O)ccc1)c1cccc(C(C)(C)c2ccccn2)n1.CC(C)(c1[c-]c(Oc2ccccc2O)ccc1)c1cccc(Oc2ccccn2)n1.CC(C)(c1[c-]c([Si](c2ccccc2)(c2ccccc2)c2cccc(C(C)(C)c3ccccc3O)n2)ccc1)c1ccccn1.CC(C)(c1ccccn1)c1cccc(Oc2[c-]c(C(C)(C)c3ccccc3O)ccc2)n1.Oc1ccccc1Oc1[c-]c(Oc2cccc(Oc3ccccn3)n2)ccc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C40H37N2OSi.C34H32N3O.2C28H27N2O2.C25H21N2O3.C22H15N2O4.6Pt/c1-39(2,36-25-13-14-28-41-36)30-17-15-22-33(29-30)44(31-18-7-5-8-19-31,32-20-9-6-10-21-32)38-27-16-26-37(42-38)40(3,4)34-23-11-12-24-35(34)43;1-33(2,30-20-10-11-23-35-30)25-14-12-17-27(24-25)37(26-15-6-5-7-16-26)32-22-13-21-31(36-32)34(3,4)28-18-8-9-19-29(28)38;1-27(2,20-11-9-12-21(19-20)32-23-14-6-5-13-22(23)31)25-16-10-17-26(30-25)28(3,4)24-15-7-8-18-29-24;1-27(2,22-13-5-6-14-23(22)31)20-11-9-12-21(19-20)32-26-17-10-16-25(30-26)28(3,4)24-15-7-8-18-29-24;1-25(2,22-13-8-15-24(27-22)30-23-14-5-6-16-26-23)18-9-7-10-19(17-18)29-21-12-4-3-11-20(21)28;25-18-9-1-2-10-19(18)26-16-7-5-8-17(15-16)27-21-12-6-13-22(24-21)28-20-11-3-4-14-23-20;;;;;;/h5-28,43H,1-4H3;5-23,38H,1-4H3;2*5-18,31H,1-4H3;3-16,28H,1-2H3;1-14,25H;;;;;;/q6*-1;;;;;; |
| InChIKey | ARMLBSQFKBADJL-UHFFFAOYSA-N |
| XLogP | 38.21 |
| TPSA | 343.91 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 210 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3874.85 |
| LogP ≤ 5 | 38.21 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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