C235H295Cl2CoN114O81S16- — CID 172928557
octakis(N'-aminomethanimidamide);3-chloro-4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) (PubChem CID 172928557) has the molecular formula C235H295Cl2CoN114O81S16- and a molecular weight of 6655.57 g/mol. Its IUPAC name is octakis(N'-aminomethanimidamide);3-chloro-4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one).
| Compound Name | octakis(N'-aminomethanimidamide);3-chloro-4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) |
|---|---|
| PubChem CID | 172928557 |
| Molecular Formula | C235H295Cl2CoN114O81S16- |
| Molecular Weight | 6655.57 g/mol |
| Exact Mass | 6649.67 |
| IUPAC Name | octakis(N'-aminomethanimidamide);3-chloro-4-[(E)-2-(5-chloro-3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]-N,N-diethylaniline;cobalt;octakis(N-(2,4-dihydroxyphenyl)iminomethanimidamide);bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);heptakis(4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol);heptakis((5-nitro-1,3-thiazol-2-yl)hydrazine);pentadecakis(propan-2-one) |
| SMILES | CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(C)CC)c(Cl)c1.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.N/C=N\N.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.NNc1ncc([N+](=O)[O-])s1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.O=[N+]([O-])c1cnc(/N=N/c2ccc(O)cc2O)s1.[Co].[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O.[H]/N=C/N=N/c1ccc(O)cc1O |
| InChI | InChI=1S/C24H29Cl2N2.9C9H6N4O4S.8C7H7N3O2.7C3H4N4O2S.15C3H6O.8CH5N3.Co/c1-6-24(4)20-15-18(25)11-13-22(20)27(5)23(24)14-10-17-9-12-19(16-21(17)26)28(7-2)8-3;9*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;8*8-4-9-10-6-2-1-5(11)3-7(6)12;7*4-6-3-5-1-2(10-3)7(8)9;15*1-3(2)4;8*2-1-4-3;/h9-16H,6-8H2,1-5H3;2*1-4H,(H2,10,12,14,15);7*1-4,14-15H;8*1-4,8,11-12H;7*1H,4H2,(H,5,6);15*1-2H3;8*1H,3H2,(H2,2,4);/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-2/b;;;7*12-11+;8*8-4+,10-9+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | VPSDTOIASLFDIF-LCHAKDRQSA-L |
| XLogP | 44.37 |
| TPSA | 3235.29 Ų |
| H-Bond Donors | 70 |
| H-Bond Acceptors | 176 |
| Rotatable Bonds | 61 |
| Heavy Atoms | 449 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6655.57 |
| LogP ≤ 5 | 44.37 |
| H-Bond Donors ≤ 5 | 70 |
| H-Bond Acceptors ≤ 10 | 176 |