C329H352F2N4O78 — CID 172919859
[4-(6-benzoyloxynaphthalene-2-carbonyl)oxy-3-propylphenyl] 3,6-bis(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;2-[2-fluoro-4-[2-fluoro-4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;methyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]benzoate;[4-[(E)-2-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]ethenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-3-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;2-[4-[4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexyl prop-2-enoate (PubChem CID 172919859) has the molecular formula C329H352F2N4O78 and a molecular weight of 5648.38 g/mol. Its IUPAC name is [4-(6-benzoyloxynaphthalene-2-carbonyl)oxy-3-propylphenyl] 3,6-bis(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;2-[2-fluoro-4-[2-fluoro-4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;methyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]benzoate;[4-[(E)-2-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]ethenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-3-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;2-[4-[4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexyl prop-2-enoate.
| Compound Name | [4-(6-benzoyloxynaphthalene-2-carbonyl)oxy-3-propylphenyl] 3,6-bis(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;2-[2-fluoro-4-[2-fluoro-4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;methyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]benzoate;[4-[(E)-2-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]ethenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-3-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;2-[4-[4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexyl prop-2-enoate |
|---|---|
| PubChem CID | 172919859 |
| Molecular Formula | C329H352F2N4O78 |
| Molecular Weight | 5648.38 g/mol |
| Exact Mass | 5644.37 |
| IUPAC Name | [4-(6-benzoyloxynaphthalene-2-carbonyl)oxy-3-propylphenyl] 3,6-bis(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;2-[2-fluoro-4-[2-fluoro-4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;methyl 5-[(E)-[(E)-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methylidenehydrazinylidene]methyl]-2-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]benzoate;[4-[(E)-2-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]ethenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-[(E)-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]methylidenehydrazinylidene]methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[(E)-3-[3-methyl-4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methylperoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;2-[4-[4-[(E)-3-oxo-3-(2-prop-2-enoyloxyethoxy)prop-1-enyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate;6-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexyl prop-2-enoate |
| SMILES | C=CC(=O)OCCCCCCOc1ccc(-c2ccc(OCCCCCCOC(=O)C=C)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(COOc2ccc(/C=C/C(=O)Oc3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3)cc2C)cc1.C=CC(=O)OCCCCCCOc1ccc(COOc2ccc(/C=C/OC(=O)c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3)cc2C)cc1.C=CC(=O)OCCCCCCOc1ccc(COOc2ccc(/C=N/N=C/c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3)cc2C(=O)OC)cc1.C=CC(=O)OCCCCCCOc1ccc(COOc2ccc(/C=N/N=C/c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C=C)cc4)cc3)cc2C)cc1.C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OC(=O)c6ccccc6)ccc5c4)c(CCC)c3)c(OCCCCCCOC(=O)C=C)cc2c1.C=CC(=O)OCCOC(=O)/C=C/c1ccc(-c2ccc(OCCOC(=O)C(=C)C)c(F)c2)c(F)c1.C=CC(=O)OCCOC(=O)/C=C/c1ccc(-c2ccc(OCCOC(=O)C(=C)C)cc2)cc1 |
| InChI | InChI=1S/C56H56O12.C48H52N2O12.2C48H52O12.C47H52N2O10.C30H38O6.C26H24F2O7.C26H26O7/c1-4-18-43-35-48(27-28-50(43)68-55(60)44-22-21-41-34-47(26-24-40(41)33-44)66-54(59)39-19-12-11-13-20-39)67-56(61)49-37-42-23-25-46(62-29-14-7-9-16-31-64-52(57)5-2)36-45(42)38-51(49)63-30-15-8-10-17-32-65-53(58)6-3;1-4-45(51)58-30-12-8-6-10-28-56-40-21-16-37(17-22-40)35-60-62-44-27-18-38(32-43(44)48(54)55-3)34-50-49-33-36-14-23-42(24-15-36)61-47(53)39-19-25-41(26-20-39)57-29-11-7-9-13-31-59-46(52)5-2;1-4-45(49)55-31-12-8-6-10-29-53-41-21-14-38(15-22-41)35-58-60-44-27-16-37(34-36(44)3)28-33-57-47(51)39-19-25-43(26-20-39)59-48(52)40-17-23-42(24-18-40)54-30-11-7-9-13-32-56-46(50)5-2;1-4-45(49)55-32-12-8-6-10-30-53-40-20-14-38(15-21-40)35-57-60-44-28-16-37(34-36(44)3)17-29-47(51)58-42-24-26-43(27-25-42)59-48(52)39-18-22-41(23-19-39)54-31-11-7-9-13-33-56-46(50)5-2;1-4-45(50)55-30-12-8-6-10-28-53-41-21-16-38(17-22-41)35-57-59-44-27-18-39(32-36(44)3)34-49-48-33-37-14-23-43(24-15-37)58-47(52)40-19-25-42(26-20-40)54-29-11-7-9-13-31-56-46(51)5-2;1-3-29(31)35-23-11-7-5-9-21-33-27-17-13-25(14-18-27)26-15-19-28(20-16-26)34-22-10-6-8-12-24-36-30(32)4-2;1-4-24(29)33-12-13-34-25(30)10-6-18-5-8-20(21(27)15-18)19-7-9-23(22(28)16-19)32-11-14-35-26(31)17(2)3;1-4-24(27)31-16-17-32-25(28)14-7-20-5-8-21(9-6-20)22-10-12-23(13-11-22)30-15-18-33-26(29)19(2)3/h5-6,11-13,19-28,33-38H,2-4,7-10,14-18,29-32H2,1H3;4-5,14-27,32-34H,1-2,6-13,28-31,35H2,3H3;4-5,14-28,33-34H,1-2,6-13,29-32,35H2,3H3;4-5,14-29,34H,1-2,6-13,30-33,35H2,3H3;4-5,14-27,32-34H,1-2,6-13,28-31,35H2,3H3;3-4,13-20H,1-2,5-12,21-24H2;4-10,15-16H,1-2,11-14H2,3H3;4-14H,1-2,15-18H2,3H3/b;49-33+,50-34+;33-28+;29-17+;48-33+,49-34+;;10-6+;14-7+ |
| InChIKey | YYILPTTVRXFXDW-GWLWZUMVSA-N |
| XLogP | 65.26 |
| TPSA | 988.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 82 |
| Rotatable Bonds | 178 |
| Heavy Atoms | 413 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5648.38 |
| LogP ≤ 5 | 65.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 82 |