C213H159Cu6N41O69S16 — CID 163498533
6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol (PubChem CID 163498533) has the molecular formula C213H159Cu6N41O69S16 and a molecular weight of 5291.18 g/mol. Its IUPAC name is 6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol.
| Compound Name | 6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol |
|---|---|
| PubChem CID | 163498533 |
| Molecular Formula | C213H159Cu6N41O69S16 |
| Molecular Weight | 5291.18 g/mol |
| Exact Mass | 5283.15 |
| IUPAC Name | 6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol |
| SMILES | Cc1cc(/N=N\c2c(SOOO)cc3cc(/N=N/c4c(SOOO)cc5cc(N)ccc5c4O)ccc3c2O)c(O)cc1/N=N/c1ccc(SOOO)cc1.Cc1cc(/N=N\c2c(SOOO)cc3cc(/N=N/c4ccc(O)cc4)ccc3c2O)c(O)cc1/N=N/c1ccc(SOOO)cc1.Cc1cc(/N=N\c2c(SOOO)cc3cc(/N=N/c4ccc(O)cc4O)ccc3c2O)c(O)cc1/N=N/c1ccc(SOOO)cc1.Cc1cc(/N=N\c2c(SOOO)cc3cc(/N=N/c4ccc(O)cc4O)ccc3c2O)c(O)cc1/N=N/c1ccc2cc(SOOO)cc(S(=O)(=O)O)c2c1.OOOSc1ccc(/N=N/c2ccc(/N=N/c3c(SOOO)cc4cc(/N=N/c5ccc(O)cc5)ccc4c3O)cc2)cc1.OOOSc1ccc(/N=N/c2ccc(/N=N\c3c(SOOO)cc4cc(OCNc5ccccc5)ccc4c3O)c(O)c2)cc1.OOOSc1ccc2cc(/N=N/c3ccc(/N=N\c4c(SOOO)cc5cc(Nc6ccccc6)ccc5c4O)c(O)c3)ccc2c1.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu] |
| InChI | InChI=1S/C33H25N7O12S3.C33H24N6O13S3.C32H23N5O8S2.C29H22N6O10S2.C29H22N6O9S2.C29H23N5O9S2.C28H20N6O8S2.6Cu/c1-16-10-26(27(41)15-25(16)37-35-20-3-6-22(7-4-20)53-50-47-44)38-40-31-29(55-52-49-46)14-18-12-21(5-9-24(18)33(31)43)36-39-30-28(54-51-48-45)13-17-11-19(34)2-8-23(17)32(30)42;1-16-8-27(29(42)15-26(16)37-35-20-3-2-17-10-22(53-51-49-44)14-31(24(17)12-20)55(46,47)48)38-39-32-30(54-52-50-45)11-18-9-19(4-6-23(18)33(32)43)34-36-25-7-5-21(40)13-28(25)41;38-29-18-25(35-34-24-8-6-20-16-26(46-44-42-40)11-7-19(20)14-24)10-13-28(29)36-37-31-30(47-45-43-41)17-21-15-23(9-12-27(21)32(31)39)33-22-4-2-1-3-5-22;1-15-10-24(26(38)14-23(15)33-30-17-2-6-20(7-3-17)46-44-42-40)34-35-28-27(47-45-43-41)12-16-11-18(4-8-21(16)29(28)39)31-32-22-9-5-19(36)13-25(22)37;1-16-12-25(26(37)15-24(16)33-31-19-4-9-22(10-5-19)45-43-41-39)34-35-28-27(46-44-42-40)14-17-13-20(6-11-23(17)29(28)38)32-30-18-2-7-21(36)8-3-18;35-26-16-21(32-31-20-6-10-23(11-7-20)44-42-40-37)8-13-25(26)33-34-28-27(45-43-41-38)15-18-14-22(9-12-24(18)29(28)36)39-17-30-19-4-2-1-3-5-19;35-23-10-5-20(6-11-23)31-33-22-9-14-25-17(15-22)16-26(44-42-40-38)27(28(25)36)34-32-19-3-1-18(2-4-19)29-30-21-7-12-24(13-8-21)43-41-39-37;;;;;;/h2-15,41-46H,34H2,1H3;2-15,40-45H,1H3,(H,46,47,48);1-18,33,38-41H;2-14,36-41H,1H3;2-15,36-40H,1H3;1-16,30,35-38H,17H2;1-16,35-38H;;;;;;/b37-35+,39-36+,40-38-;36-34+,37-35+,39-38-;35-34+,37-36-;32-31+,33-30+,35-34-;32-30+,33-31+,35-34-;32-31+,34-33-;30-29+,33-31+,34-32+;;;;;; |
| InChIKey | DEWOUQPLJIGORA-PEIOBLAESA-N |
| XLogP | 73.01 |
| TPSA | 1568.31 Ų |
| H-Bond Donors | 39 |
| H-Bond Acceptors | 124 |
| Rotatable Bonds | 90 |
| Heavy Atoms | 345 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5291.18 |
| LogP ≤ 5 | 73.01 |
| H-Bond Donors ≤ 5 | 39 |
| H-Bond Acceptors ≤ 10 | 124 |