C308H273FN2O68 — CID 157283093
(3-fluoro-7-hexyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;6-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;(2-methyl-8-prop-2-enoyloxyquinoxalin-5-yl) prop-2-enoate;(7-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate (PubChem CID 157283093) has the molecular formula C308H273FN2O68 and a molecular weight of 5109.52 g/mol. Its IUPAC name is (3-fluoro-7-hexyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;6-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;(2-methyl-8-prop-2-enoyloxyquinoxalin-5-yl) prop-2-enoate;(7-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate.
| Compound Name | (3-fluoro-7-hexyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;6-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;(2-methyl-8-prop-2-enoyloxyquinoxalin-5-yl) prop-2-enoate;(7-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate |
|---|---|
| PubChem CID | 157283093 |
| Molecular Formula | C308H273FN2O68 |
| Molecular Weight | 5109.52 g/mol |
| Exact Mass | 5105.79 |
| IUPAC Name | (3-fluoro-7-hexyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;6-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;(2-methyl-8-prop-2-enoyloxyquinoxalin-5-yl) prop-2-enoate;(7-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate;[4-(4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate |
| SMILES | C=C(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OCCCCCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)Oc1cc2ccccc2cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c2ccccc12.C=C(C)C(=O)Oc1ccc2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)Oc1cc(F)c(OC(=O)C=C)c2ccc(CCCCCC)cc12.C=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(/C=C/c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(OC(=O)C=C)c2c(O)cccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2nc(C)cnc12.C=CC(=O)Oc1ccc2c(OC(=O)C=C)cccc2c1.C=CC(=O)Oc1ccc2c(c1)Cc1cc(OC(=O)C=C)ccc1-2.C=CC(=O)Oc1cccc2c(OC(=O)C=C)cccc12 |
| InChI | InChI=1S/C32H42O6.C26H22O4.C22H23FO4.C21H20O4.C20H16O4.C19H14O4.3C18H16O4.C18H14O4.C17H14O5.C16H12O5.3C16H12O4.C15H12N2O4/c1-25(2)31(33)37-23-11-7-5-9-21-35-29-17-13-27(14-18-29)28-15-19-30(20-16-28)36-22-10-6-8-12-24-38-32(34)26(3)4;1-17(2)25(27)29-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)30-26(28)18(3)4;1-4-7-8-9-10-15-11-12-16-17(13-15)19(26-20(24)5-2)14-18(23)22(16)27-21(25)6-3;1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2;1-3-19(21)23-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)24-20(22)4-2;1-3-18(20)22-14-5-7-16-12(10-14)9-13-11-15(6-8-17(13)16)23-19(21)4-2;1-11(2)17(19)21-15-7-5-14-10-16(8-6-13(14)9-15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-13-7-5-6-8-14(13)10-16(15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-10-16(22-18(20)12(3)4)14-8-6-5-7-13(14)15;1-3-17(19)21-15-9-5-13(6-10-15)14-7-11-16(12-8-14)22-18(20)4-2;1-4-15(18)21-13-10-14(20-3)17(22-16(19)5-2)12-9-7-6-8-11(12)13;1-3-14(18)20-12-8-9-13(21-15(19)4-2)16-10(12)6-5-7-11(16)17;1-3-15(17)19-13-9-5-8-12-11(13)7-6-10-14(12)20-16(18)4-2;1-3-15(17)19-12-8-9-13-11(10-12)6-5-7-14(13)20-16(18)4-2;1-3-15(17)19-13-9-10-14(20-16(18)4-2)12-8-6-5-7-11(12)13;1-4-12(18)20-10-6-7-11(21-13(19)5-2)15-14(10)16-8-9(3)17-15/h13-20H,1,3,5-12,21-24H2,2,4H3;5-16H,1,3H2,2,4H3;5-6,11-14H,2-4,7-10H2,1H3;5-14H,1-2H2,3-4H3;3-14H,1-2H2;3-8,10-11H,1-2,9H2;3*5-10H,1,3H2,2,4H3;3-12H,1-2H2;4-10H,1-2H2,3H3;3-9,17H,1-2H2;3*3-10H,1-2H2;4-8H,1-2H2,3H3/b;;;;6-5+;;;;;;;;;;; |
| InChIKey | AZXGEZVVJOMSOW-DYNHXMNVSA-N |
| XLogP | 62.31 |
| TPSA | 915.30 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 92 |
| Heavy Atoms | 379 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5109.52 |
| LogP ≤ 5 | 62.31 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 70 |