C164H186N16O4Pt4Si3-4 — CID 159524409
bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]phenol);2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum (PubChem CID 159524409) has the molecular formula C164H186N16O4Pt4Si3-4 and a molecular weight of 3309.97 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]phenol);2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum.
| Compound Name | bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]phenol);2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 159524409 |
| Molecular Formula | C164H186N16O4Pt4Si3-4 |
| Molecular Weight | 3309.97 g/mol |
| Exact Mass | 3307.28 |
| IUPAC Name | bis(2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]-1-methylimidazo[4,5-c]pyridin-2-yl]phenol);2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]imidazo[4,5-c]pyridin-2-yl]phenol;platinum |
| SMILES | Cc1cnc(-c2[c-]c(-c3nccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3ccccc3)c2)cc1-c1ccccc1.Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(-c4ccccc4)c3)nccc21.Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)nccc21.Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccc([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)nccc21.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C45H43N4O.C41H45N4OSi.2C39H49N4OSi.4Pt/c1-28-27-47-38(26-35(28)30-17-13-10-14-18-30)32-21-31(29-15-11-9-12-16-29)22-33(23-32)40-41-39(19-20-46-40)49(8)43(48-41)36-24-34(44(2,3)4)25-37(42(36)50)45(5,6)7;1-40(2,3)30-23-32(38(46)33(24-30)41(4,5)6)39-44-37-35(45(39)7)18-19-42-36(37)29-21-27(26-14-12-11-13-15-26)20-28(22-29)34-17-16-31(25-43-34)47(8,9)10;2*1-37(2,3)26-19-24(31-15-14-28(23-41-31)45(11,12)13)18-25(20-26)33-34-32(16-17-40-33)43(10)36(42-34)29-21-27(38(4,5)6)22-30(35(29)44)39(7,8)9;;;;/h9-22,24-27,50H,1-8H3;11-21,23-25,46H,1-10H3;2*14-17,19-23,44H,1-13H3;;;;/q4*-1;;;; |
| InChIKey | YRCASYINCCPCPL-UHFFFAOYSA-N |
| XLogP | 39.39 |
| TPSA | 255.32 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3309.97 |
| LogP ≤ 5 | 39.39 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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