C151H110BeN18O2Pd2Zn+2 — CID 158182695
beryllium;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-(3-methylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;pyridine;quinolin-1-ium-8-olate;quinolin-8-ol;2,4,6-tris(2-pyridin-2-ylphenyl)-1,3,5-triazine;zinc (PubChem CID 158182695) has the molecular formula C151H110BeN18O2Pd2Zn+2 and a molecular weight of 2495.91 g/mol. Its IUPAC name is beryllium;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-(3-methylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;pyridine;quinolin-1-ium-8-olate;quinolin-8-ol;2,4,6-tris(2-pyridin-2-ylphenyl)-1,3,5-triazine;zinc.
| Compound Name | beryllium;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-(3-methylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;pyridine;quinolin-1-ium-8-olate;quinolin-8-ol;2,4,6-tris(2-pyridin-2-ylphenyl)-1,3,5-triazine;zinc |
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| PubChem CID | 158182695 |
| Molecular Formula | C151H110BeN18O2Pd2Zn+2 |
| Molecular Weight | 2495.91 g/mol |
| Exact Mass | 2491.65 |
| IUPAC Name | beryllium;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;2-(3-methylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;pyridine;quinolin-1-ium-8-olate;quinolin-8-ol;2,4,6-tris(2-pyridin-2-ylphenyl)-1,3,5-triazine;zinc |
| SMILES | CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cccc(-c4ccccn4)c3)n2)c1.Oc1cccc2cccnc12.[Be+2].[O-]c1cccc2ccc[nH+]c12.[Pd+2].[Pd+2].[Zn].[c-]1ccccc1-c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccn3)nc(-c3ccccc3-c3ccccn3)n2)nc1.c1ccncc1 |
| InChI | InChI=1S/C36H24N6.C35H24N2.C32H23N5.C25H20N2.2C9H7NO.C5H5N.Be.2Pd.Zn/c1-4-16-28(25(13-1)31-19-7-10-22-37-31)34-40-35(29-17-5-2-14-26(29)32-20-8-11-23-38-32)42-36(41-34)30-18-6-3-15-27(30)33-21-9-12-24-39-33;1-5-15-27(16-6-1)31-23-13-25-33(36-31)35(29-19-9-3-10-20-29,30-21-11-4-12-22-30)34-26-14-24-32(37-34)28-17-7-2-8-18-28;1-22-9-6-12-25(19-22)30-35-31(26-13-7-10-23(20-26)28-15-2-4-17-33-28)37-32(36-30)27-14-8-11-24(21-27)29-16-3-5-18-34-29;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;2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-4-6-5-3-1;;;;/h1-24H;1-15,17,19-26H;2-21H,1H3;3-11,13,15-18H,1-2H3;2*1-6,11H;1-5H;;;;/q;-2;;-2;;;;3*+2; |
| InChIKey | XCTZKOUVJRVVFF-UHFFFAOYSA-N |
| XLogP | 32.26 |
| TPSA | 276.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2495.91 |
| LogP ≤ 5 | 32.26 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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