C351H306F6O68 — CID 158209633
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[3,4-di(prop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-prop-2-enoyloxyphenyl] prop-2-enoate;[4-[3-fluoro-4-[3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;3-[4-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]propyl prop-2-enoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate;4-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]butyl 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate;3-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]propyl 2-methylprop-2-enoate;4-(7-prop-2-enoyloxyphenanthren-2-yl)butyl prop-2-enoate;(7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate;3-(7-prop-2-enoyloxyphenanthren-2-yl)propyl prop-2-enoate (PubChem CID 158209633) has the molecular formula C351H306F6O68 and a molecular weight of 5726.23 g/mol. Its IUPAC name is [4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[3,4-di(prop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-prop-2-enoyloxyphenyl] prop-2-enoate;[4-[3-fluoro-4-[3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;3-[4-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]propyl prop-2-enoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate;4-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]butyl 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate;3-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]propyl 2-methylprop-2-enoate;4-(7-prop-2-enoyloxyphenanthren-2-yl)butyl prop-2-enoate;(7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate;3-(7-prop-2-enoyloxyphenanthren-2-yl)propyl prop-2-enoate.
| Compound Name | [4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[3,4-di(prop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-prop-2-enoyloxyphenyl] prop-2-enoate;[4-[3-fluoro-4-[3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;3-[4-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]propyl prop-2-enoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate;4-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]butyl 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate;3-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]propyl 2-methylprop-2-enoate;4-(7-prop-2-enoyloxyphenanthren-2-yl)butyl prop-2-enoate;(7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate;3-(7-prop-2-enoyloxyphenanthren-2-yl)propyl prop-2-enoate |
|---|---|
| PubChem CID | 158209633 |
| Molecular Formula | C351H306F6O68 |
| Molecular Weight | 5726.23 g/mol |
| Exact Mass | 5722.04 |
| IUPAC Name | [4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[4-[3,4-di(prop-2-enoyloxy)phenyl]-3-fluorophenyl]-2-prop-2-enoyloxyphenyl] prop-2-enoate;[4-[3-fluoro-4-[3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;3-[4-[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]propyl prop-2-enoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate;4-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]butyl 2-methylprop-2-enoate;[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate;3-[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]propyl 2-methylprop-2-enoate;4-(7-prop-2-enoyloxyphenanthren-2-yl)butyl prop-2-enoate;(7-prop-2-enoyloxyphenanthren-2-yl) prop-2-enoate;3-(7-prop-2-enoyloxyphenanthren-2-yl)propyl prop-2-enoate |
| SMILES | C=C(C)C(=O)OCCCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1.C=C(C)C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)OCCCc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1.C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)c(F)c2)cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc2c(ccc3cc(OC(=O)C(=C)C)ccc32)c1.C=C(C)C(=O)Oc1cccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2F)c1.C=CC(=O)OCCCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1.C=CC(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCCc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1.C=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C=C)c(OC(=O)C=C)c3)c(F)c2)cc1OC(=O)C=C.C=CC(=O)Oc1ccc2c(ccc3cc(OC(=O)C=C)ccc32)c1 |
| InChI | InChI=1S/C35H36O10.C34H29FO8.C30H21FO8.C30H25FO6.C29H27FO4.C27H23FO4.C26H21FO4.C26H26O4.C25H24O4.C24H22O4.C23H20O4.C22H18O4.C20H14O4/c1-23(2)32(36)42-20-6-18-40-28-12-8-26(9-13-28)34(38)44-30-16-17-31(25(5)22-30)45-35(39)27-10-14-29(15-11-27)41-19-7-21-43-33(37)24(3)4;1-18(2)31(36)40-27-13-10-23(16-29(27)42-33(38)20(5)6)22-9-12-25(26(35)15-22)24-11-14-28(41-32(37)19(3)4)30(17-24)43-34(39)21(7)8;1-5-27(32)36-23-13-10-19(16-25(23)38-29(34)7-3)18-9-12-21(22(31)15-18)20-11-14-24(37-28(33)6-2)26(17-20)39-30(35)8-4;1-17(2)28(32)35-23-9-7-8-22(14-23)24-12-10-20(15-25(24)31)21-11-13-26(36-29(33)18(3)4)27(16-21)37-30(34)19(5)6;1-19(2)28(31)33-17-5-6-21-7-9-22(10-8-21)24-13-16-26(27(30)18-24)23-11-14-25(15-12-23)34-29(32)20(3)4;1-3-26(29)31-17-5-6-19-7-9-20(10-8-19)22-13-16-24(25(28)18-22)21-11-14-23(15-12-21)32-27(30)4-2;1-16(2)25(28)30-21-10-5-18(6-11-21)20-9-14-23(24(27)15-20)19-7-12-22(13-8-19)31-26(29)17(3)4;1-17(2)25(27)29-14-6-5-7-19-8-12-23-20(15-19)9-10-21-16-22(11-13-24(21)23)30-26(28)18(3)4;1-16(2)24(26)28-13-5-6-18-7-11-22-19(14-18)8-9-20-15-21(10-12-23(20)22)29-25(27)17(3)4;1-3-23(25)27-14-6-5-7-17-8-12-21-18(15-17)9-10-19-16-20(11-13-22(19)21)28-24(26)4-2;1-3-22(24)26-13-5-6-16-7-11-20-17(14-16)8-9-18-15-19(10-12-21(18)20)27-23(25)4-2;1-13(2)21(23)25-17-7-9-19-15(11-17)5-6-16-12-18(8-10-20(16)19)26-22(24)14(3)4;1-3-19(21)23-15-7-9-17-13(11-15)5-6-14-12-16(8-10-18(14)17)24-20(22)4-2/h8-17,22H,1,3,6-7,18-21H2,2,4-5H3;9-17H,1,3,5,7H2,2,4,6,8H3;5-17H,1-4H2;7-16H,1,3,5H2,2,4,6H3;7-16,18H,1,3,5-6,17H2,2,4H3;3-4,7-16,18H,1-2,5-6,17H2;5-15H,1,3H2,2,4H3;8-13,15-16H,1,3,5-7,14H2,2,4H3;7-12,14-15H,1,3,5-6,13H2,2,4H3;3-4,8-13,15-16H,1-2,5-7,14H2;3-4,7-12,14-15H,1-2,5-6,13H2;5-12H,1,3H2,2,4H3;3-12H,1-2H2 |
| InChIKey | GBXMIBRGGROBLO-UHFFFAOYSA-N |
| XLogP | 74.61 |
| TPSA | 886.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 68 |
| Rotatable Bonds | 106 |
| Heavy Atoms | 425 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5726.23 |
| LogP ≤ 5 | 74.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 68 |