C333H322N16O85 — CID 172949446
[2,6-dimethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-ethoxy-4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-ethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[4-[(3-methoxy-4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;methyl 5-[(E)-[(E)-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;2-prop-2-enoyloxyethyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;[4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 172949446) has the molecular formula C333H322N16O85 and a molecular weight of 5908.27 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-ethoxy-4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-ethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[4-[(3-methoxy-4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;methyl 5-[(E)-[(E)-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;2-prop-2-enoyloxyethyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;[4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
| Compound Name | [2,6-dimethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-ethoxy-4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-ethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[4-[(3-methoxy-4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;methyl 5-[(E)-[(E)-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;2-prop-2-enoyloxyethyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;[4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate |
|---|---|
| PubChem CID | 172949446 |
| Molecular Formula | C333H322N16O85 |
| Molecular Weight | 5908.27 g/mol |
| Exact Mass | 5904.14 |
| IUPAC Name | [2,6-dimethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-ethoxy-4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-ethoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[4-[(3-methoxy-4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methoxy-4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;methyl 5-[(E)-[(E)-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;2-prop-2-enoyloxyethyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[(4-prop-2-enoyloxyphenyl)methylperoxy]benzoate;[4-[(E)-[(E)-[4-[(4-prop-2-enoyloxyphenyl)methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate |
| SMILES | C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2c(OC)cc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)cc3)cc2OC)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)c(OC)c4)cc3)cc2)cc1OC.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)c(C(=O)OCCOC(=O)C=C)c3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)cc3)cc2OC)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)cc3)cc2OCC)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)c(C(=O)OC)c3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OOCc4ccc(OC(=O)C=C)cc4)c(OCC)c3)cc2)cc1 |
| InChI | InChI=1S/C46H44N2O13.2C42H42N2O11.C42H42N2O10.C41H40N2O10.C40H36N2O11.C40H38N2O10.C40H38N2O9/c1-4-42(49)55-26-10-8-7-9-25-54-37-22-16-36(17-23-37)45(52)60-39-18-11-33(12-19-39)30-47-48-31-35-15-24-41(40(29-35)46(53)57-28-27-56-43(50)5-2)61-58-32-34-13-20-38(21-14-34)59-44(51)6-3;1-5-39(45)51-24-10-8-7-9-23-50-34-21-15-33(16-22-34)42(47)54-41-37(48-3)25-32(26-38(41)49-4)28-44-43-27-30-11-19-36(20-12-30)55-52-29-31-13-17-35(18-14-31)53-40(46)6-2;1-5-40(45)51-24-10-8-7-9-23-50-36-22-16-33(26-39(36)49-4)42(47)53-34-17-11-30(12-18-34)27-43-44-28-31-13-19-35(20-14-31)55-52-29-32-15-21-37(38(25-32)48-3)54-41(46)6-2;1-4-40(45)50-26-10-8-7-9-25-49-35-22-16-34(17-23-35)42(47)53-38-24-15-33(27-39(38)48-6-3)29-44-43-28-31-11-20-37(21-12-31)54-51-30-32-13-18-36(19-14-32)52-41(46)5-2;1-4-39(44)49-25-9-7-6-8-24-48-34-21-15-33(16-22-34)41(46)52-37-23-14-32(26-38(37)47-3)28-43-42-27-30-10-19-36(20-11-30)53-50-29-31-12-17-35(18-13-31)51-40(45)5-2;1-4-37(43)49-23-7-6-22-48-32-19-13-31(14-20-32)39(45)52-34-15-8-28(9-16-34)25-41-42-26-30-12-21-36(35(24-30)40(46)47-3)53-50-27-29-10-17-33(18-11-29)51-38(44)5-2;1-4-38(43)48-24-8-7-23-47-33-20-14-32(15-21-33)40(45)51-35-16-9-29(10-17-35)26-41-42-27-31-13-22-36(37(25-31)46-6-3)52-49-28-30-11-18-34(19-12-30)50-39(44)5-2;1-3-38(43)47-26-8-6-5-7-25-46-34-23-15-33(16-24-34)40(45)50-36-17-9-30(10-18-36)27-41-42-28-31-11-21-37(22-12-31)51-48-29-32-13-19-35(20-14-32)49-39(44)4-2/h4-6,11-24,29-31H,1-3,7-10,25-28,32H2;2*5-6,11-22,25-28H,1-2,7-10,23-24,29H2,3-4H3;4-5,11-24,27-29H,1-2,6-10,25-26,30H2,3H3;4-5,10-23,26-28H,1-2,6-9,24-25,29H2,3H3;4-5,8-21,24-26H,1-2,6-7,22-23,27H2,3H3;4-5,9-22,25-27H,1-2,6-8,23-24,28H2,3H3;3-4,9-24,27-28H,1-2,5-8,25-26,29H2/b47-30+,48-31+;2*43-27+,44-28+;43-28+,44-29+;42-27+,43-28+;41-25+,42-26+;41-26+,42-27+;41-27+,42-28+ |
| InChIKey | DHDLJJDQXVBHSC-GWFMICAHSA-N |
| XLogP | 59.99 |
| TPSA | 1193.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 101 |
| Rotatable Bonds | 171 |
| Heavy Atoms | 434 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5908.27 |
| LogP ≤ 5 | 59.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 101 |