C169H171N13O4Pt4Si-4 — CID 159968048
2,4-ditert-butyl-6-[[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]phenol;4-[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1-phenylbenzimidazol-4-yl]benzene-5-ide-1-carbonitrile;2,4-ditert-butyl-6-[[2-(1-phenyl-4-phenylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[1-phenyl-4-(4-trimethylsilylbenzene-6-id-1-yl)benzimidazol-2-yl]phenyl]iminomethyl]phenol;methane;platinum (PubChem CID 159968048) has the molecular formula C169H171N13O4Pt4Si-4 and a molecular weight of 3256.71 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]phenol;4-[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1-phenylbenzimidazol-4-yl]benzene-5-ide-1-carbonitrile;2,4-ditert-butyl-6-[[2-(1-phenyl-4-phenylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[1-phenyl-4-(4-trimethylsilylbenzene-6-id-1-yl)benzimidazol-2-yl]phenyl]iminomethyl]phenol;methane;platinum.
| Compound Name | 2,4-ditert-butyl-6-[[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]phenol;4-[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1-phenylbenzimidazol-4-yl]benzene-5-ide-1-carbonitrile;2,4-ditert-butyl-6-[[2-(1-phenyl-4-phenylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[1-phenyl-4-(4-trimethylsilylbenzene-6-id-1-yl)benzimidazol-2-yl]phenyl]iminomethyl]phenol;methane;platinum |
|---|---|
| PubChem CID | 159968048 |
| Molecular Formula | C169H171N13O4Pt4Si-4 |
| Molecular Weight | 3256.71 g/mol |
| Exact Mass | 3254.20 |
| IUPAC Name | 2,4-ditert-butyl-6-[[2-[4-(4-tert-butylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenyl]iminomethyl]phenol;4-[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1-phenylbenzimidazol-4-yl]benzene-5-ide-1-carbonitrile;2,4-ditert-butyl-6-[[2-(1-phenyl-4-phenylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[1-phenyl-4-(4-trimethylsilylbenzene-6-id-1-yl)benzimidazol-2-yl]phenyl]iminomethyl]phenol;methane;platinum |
| SMILES | C.CC(C)(C)c1c[c-]c(-c2cccc3c2nc(-c2ccccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2)cc1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc(C#N)cc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](C)(C)C)cc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/c2ccccc2-c2nc3c(-c4[c-]cccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C44H46N3O.C43H46N3OSi.C41H37N4O.C40H38N3O.CH4.4Pt/c1-42(2,3)31-24-22-29(23-25-31)34-19-15-21-38-39(34)46-41(47(38)33-16-11-10-12-17-33)35-18-13-14-20-37(35)45-28-30-26-32(43(4,5)6)27-36(40(30)48)44(7,8)9;1-42(2,3)31-26-30(40(47)36(27-31)43(4,5)6)28-44-37-20-14-13-18-35(37)41-45-39-34(29-22-24-33(25-23-29)48(7,8)9)19-15-21-38(39)46(41)32-16-11-10-12-17-32;1-40(2,3)30-23-29(38(46)34(24-30)41(4,5)6)26-43-35-17-11-10-15-33(35)39-44-37-32(28-21-19-27(25-42)20-22-28)16-12-18-36(37)45(39)31-13-8-7-9-14-31;1-39(2,3)29-24-28(37(44)33(25-29)40(4,5)6)26-41-34-22-14-13-20-32(34)38-42-36-31(27-16-9-7-10-17-27)21-15-23-35(36)43(38)30-18-11-8-12-19-30;;;;;/h10-22,24-28,48H,1-9H3;10-22,24-28,47H,1-9H3;7-21,23-24,26,46H,1-6H3;7-16,18-26,44H,1-6H3;1H4;;;;/q4*-1;;;;;/b45-28+;44-28+;43-26+;41-26+;;;;; |
| InChIKey | BIZAJFJWPJYESG-TZFFMQFKSA-N |
| XLogP | 43.18 |
| TPSA | 225.43 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3256.71 |
| LogP ≤ 5 | 43.18 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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