C160H151BrCl2N18O8Pt4 — CID 159426200
2-[[2-[(7-amino-9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;2-[[5-amino-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol;2-[[5-bromo-2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;9-butyl-2-[[2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7-methylcarbazol-3-ol;platinum (PubChem CID 159426200) has the molecular formula C160H151BrCl2N18O8Pt4 and a molecular weight of 3385.21 g/mol. Its IUPAC name is 2-[[2-[(7-amino-9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;2-[[5-amino-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol;2-[[5-bromo-2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;9-butyl-2-[[2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7-methylcarbazol-3-ol;platinum.
| Compound Name | 2-[[2-[(7-amino-9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;2-[[5-amino-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol;2-[[5-bromo-2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;9-butyl-2-[[2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7-methylcarbazol-3-ol;platinum |
|---|---|
| PubChem CID | 159426200 |
| Molecular Formula | C160H151BrCl2N18O8Pt4 |
| Molecular Weight | 3385.21 g/mol |
| Exact Mass | 3380.91 |
| IUPAC Name | 2-[[2-[(7-amino-9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;2-[[5-amino-2-[(9-butyl-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-methylcarbazol-3-ol;2-[[5-bromo-2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-9-butyl-7-methylcarbazol-3-ol;9-butyl-2-[[2-[(9-butyl-7-chloro-3-hydroxycarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7-methylcarbazol-3-ol;platinum |
| SMILES | CCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3cc(Br)ccc3/N=C/c3cc4c(cc3O)c3ccc(Cl)cc3n4CCCC)cc21.CCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3ccccc3/N=C/c3cc4c(cc3O)c3ccc(Cl)cc3n4CCCC)cc21.CCCCn1c2cc(C)ccc2c2cc(O)c(/C=N/c3ccccc3/N=C/c3cc4c(cc3O)c3ccc(N)cc3n4CCCC)cc21.CCCCn1c2ccccc2c2cc(O)c(/C=N/c3ccc(N)cc3/N=C/c3cc4c(cc3O)c3ccccc3n4C)cc21.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C41H38BrClN4O2.C41H39ClN4O2.C41H41N5O2.C37H33N5O2.4Pt/c1-4-6-14-46-36-16-25(3)8-11-30(36)32-21-41(49)27(18-37(32)46)24-45-35-19-28(42)9-13-34(35)44-23-26-17-38-33(22-40(26)48)31-12-10-29(43)20-39(31)47(38)15-7-5-2;2*1-4-6-16-45-36-18-26(3)12-14-30(36)32-22-40(47)27(19-37(32)45)24-43-34-10-8-9-11-35(34)44-25-28-20-38-33(23-41(28)48)31-15-13-29(42)21-39(31)46(38)17-7-5-2;1-3-4-15-42-33-12-8-6-10-27(33)29-20-37(44)24(17-35(29)42)21-39-30-14-13-25(38)18-31(30)40-22-23-16-34-28(19-36(23)43)26-9-5-7-11-32(26)41(34)2;;;;/h8-13,16-24,48-49H,4-7,14-15H2,1-3H3;8-15,18-25,47-48H,4-7,16-17H2,1-3H3;8-15,18-25,47-48H,4-7,16-17,42H2,1-3H3;5-14,16-22,43-44H,3-4,15,38H2,1-2H3;;;;/b44-23+,45-24+;2*43-24+,44-25+;39-21+,40-22+;;;; |
| InChIKey | DKGPUCCCIMSQAM-KCPHHWOSSA-N |
| XLogP | 42.55 |
| TPSA | 352.20 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3385.21 |
| LogP ≤ 5 | 42.55 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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