C177H168N8O4Pt4S4Si-4 — CID 160534986
4-tert-butyl-2-[[2-[4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum (PubChem CID 160534986) has the molecular formula C177H168N8O4Pt4S4Si-4 and a molecular weight of 3408.01 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum.
| Compound Name | 4-tert-butyl-2-[[2-[4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum |
|---|---|
| PubChem CID | 160534986 |
| Molecular Formula | C177H168N8O4Pt4S4Si-4 |
| Molecular Weight | 3408.01 g/mol |
| Exact Mass | 3405.05 |
| IUPAC Name | 4-tert-butyl-2-[[2-[4-(4-triphenylsilylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-tert-butyl-2-[[2-[4-[4-[2,4,6-tri(propan-2-yl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[4-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum |
| SMILES | CC(C)(C)c1ccc(O)c(/C=N/c2ccccc2-c2nc3c(-c4[c-]cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cccc3s2)c1.CC(C)c1cc(C(C)C)c(-c2c[c-]c(-c3cccc4sc(-c5ccccc5/N=C/c5cc(C(C)(C)C)ccc5O)nc34)cc2)c(C(C)C)c1.Cc1cc(C)cc(-c2c[c-]c(-c3cccc4sc(-c5ccccc5/N=C/c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)cc2)c1.Cc1ccc(C)c(-c2c[c-]c(-c3cccc4sc(-c5ccccc5/N=C/c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)cc2)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C48H39N2OSSi.C45H47N2OS.2C42H41N2OS.4Pt/c1-48(2,3)36-28-31-44(51)35(32-36)33-49-43-24-14-13-22-42(43)47-50-46-41(23-15-25-45(46)52-47)34-26-29-40(30-27-34)53(37-16-7-4-8-17-37,38-18-9-5-10-19-38)39-20-11-6-12-21-39;1-27(2)32-24-37(28(3)4)42(38(25-32)29(5)6)31-19-17-30(18-20-31)35-14-12-16-41-43(35)47-44(49-41)36-13-10-11-15-39(36)46-26-33-23-34(45(7,8)9)21-22-40(33)48;1-26-20-27(2)22-30(21-26)28-16-18-29(19-17-28)33-13-11-15-37-38(33)44-40(46-37)34-12-9-10-14-36(34)43-25-31-23-32(41(3,4)5)24-35(39(31)45)42(6,7)8;1-26-16-17-27(2)34(22-26)29-20-18-28(19-21-29)32-13-11-15-37-38(32)44-40(46-37)33-12-9-10-14-36(33)43-25-30-23-31(41(3,4)5)24-35(39(30)45)42(6,7)8;;;;/h4-26,28-33,51H,1-3H3;10-17,19-29,48H,1-9H3;2*9-18,20-25,45H,1-8H3;;;;/q4*-1;;;;/b49-33+;46-26+;2*43-25+;;;; |
| InChIKey | UVJJAPHOYYAXBF-MSGSUONPSA-N |
| XLogP | 46.30 |
| TPSA | 181.92 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3408.01 |
| LogP ≤ 5 | 46.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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