C213H225N11O10Pt4 — CID 158835289
[4-[1,1-bis(6-phenyl-2-pyridinyl)ethyl]phenyl] 2,2-dimethylbutanoate;9-butan-2-ylcarbazole;8-butan-2-yl-2-phenyl-1,10-phenanthroline;methane;[4-oxo-4-[4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenoxy]butyl] 2,2-dimethylbutanoate;bis([4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenyl] 2,2-dimethylbutanoate);tetrakis(platinum(2+)) (PubChem CID 158835289) has the molecular formula C213H225N11O10Pt4 and a molecular weight of 3879.52 g/mol. Its IUPAC name is [4-[1,1-bis(6-phenyl-2-pyridinyl)ethyl]phenyl] 2,2-dimethylbutanoate;9-butan-2-ylcarbazole;8-butan-2-yl-2-phenyl-1,10-phenanthroline;methane;[4-oxo-4-[4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenoxy]butyl] 2,2-dimethylbutanoate;bis([4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenyl] 2,2-dimethylbutanoate);tetrakis(platinum(2+)).
| Compound Name | [4-[1,1-bis(6-phenyl-2-pyridinyl)ethyl]phenyl] 2,2-dimethylbutanoate;9-butan-2-ylcarbazole;8-butan-2-yl-2-phenyl-1,10-phenanthroline;methane;[4-oxo-4-[4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenoxy]butyl] 2,2-dimethylbutanoate;bis([4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenyl] 2,2-dimethylbutanoate);tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 158835289 |
| Molecular Formula | C213H225N11O10Pt4 |
| Molecular Weight | 3879.52 g/mol |
| Exact Mass | 3876.60 |
| IUPAC Name | [4-[1,1-bis(6-phenyl-2-pyridinyl)ethyl]phenyl] 2,2-dimethylbutanoate;9-butan-2-ylcarbazole;8-butan-2-yl-2-phenyl-1,10-phenanthroline;methane;[4-oxo-4-[4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenoxy]butyl] 2,2-dimethylbutanoate;bis([4-[phenyl-bis(6-phenyl-2-pyridinyl)methyl]phenyl] 2,2-dimethylbutanoate);tetrakis(platinum(2+)) |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCCCC(=O)Oc1ccc(C(c2ccccc2)(c2cccc(-c3[c-]cccc3)n2)c2cccc(-c3[c-]cccc3)n2)cc1.CCC(C)(C)C(=O)Oc1ccc(C(C)(c2cccc(-c3[c-]cccc3)n2)c2cccc(-c3[c-]cccc3)n2)cc1.CCC(C)(C)C(=O)Oc1ccc(C(c2ccccc2)(c2cccc(-c3[c-]cccc3)n2)c2cccc(-c3[c-]cccc3)n2)cc1.CCC(C)(C)C(=O)Oc1ccc(C(c2ccccc2)(c2cccc(-c3[c-]cccc3)n2)c2cccc(-c3[c-]cccc3)n2)cc1.CCC(C)c1cnc2c(ccc3ccc(-c4ccccc4)nc32)c1.CCC(C)n1c2ccccc2c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C45H40N2O4.2C41H34N2O2.C36H32N2O2.C22H20N2.C16H17N.12CH4.4Pt/c1-4-44(2,3)43(49)50-32-16-27-42(48)51-37-30-28-36(29-31-37)45(35-21-12-7-13-22-35,40-25-14-23-38(46-40)33-17-8-5-9-18-33)41-26-15-24-39(47-41)34-19-10-6-11-20-34;2*1-4-40(2,3)39(44)45-34-28-26-33(27-29-34)41(32-20-12-7-13-21-32,37-24-14-22-35(42-37)30-16-8-5-9-17-30)38-25-15-23-36(43-38)31-18-10-6-11-19-31;1-5-35(2,3)34(39)40-29-24-22-28(23-25-29)36(4,32-20-12-18-30(37-32)26-14-8-6-9-15-26)33-21-13-19-31(38-33)27-16-10-7-11-17-27;1-3-15(2)19-13-18-10-9-17-11-12-20(16-7-5-4-6-8-16)24-22(17)21(18)23-14-19;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;;;;;;;;;;;;;;;;/h5-15,17,19,21-26,28-31H,4,16,27,32H2,1-3H3;2*5-16,18,20-29H,4H2,1-3H3;6-14,16,18-25H,5H2,1-4H3;4-15H,3H2,1-2H3;4-12H,3H2,1-2H3;12*1H4;;;;/q4*-2;;;;;;;;;;;;;;;4*+2 |
| InChIKey | JQKCMLZWELKPQY-UHFFFAOYSA-N |
| XLogP | 54.19 |
| TPSA | 265.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3879.52 |
| LogP ≤ 5 | 54.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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