C269H232O34S2 — CID 158150430
(9-benzyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-ynylanthracen-9-yl) 2-methylprop-2-enoate;(9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-phenylxanthen-9-yl) 2-methylprop-2-enoate (PubChem CID 158150430) has the molecular formula C269H232O34S2 and a molecular weight of 4072.91 g/mol. Its IUPAC name is (9-benzyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-ynylanthracen-9-yl) 2-methylprop-2-enoate;(9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-phenylxanthen-9-yl) 2-methylprop-2-enoate.
| Compound Name | (9-benzyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-ynylanthracen-9-yl) 2-methylprop-2-enoate;(9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-phenylxanthen-9-yl) 2-methylprop-2-enoate |
|---|---|
| PubChem CID | 158150430 |
| Molecular Formula | C269H232O34S2 |
| Molecular Weight | 4072.91 g/mol |
| Exact Mass | 4069.59 |
| IUPAC Name | (9-benzyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-butyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-cyclohexylxanthen-9-yl) 2-methylprop-2-enoate;(9-ethenyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(9-ethynyl-10-oxoanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-phenylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-enylanthracen-9-yl) 2-methylprop-2-enoate;(10-oxo-9-prop-2-ynylanthracen-9-yl) 2-methylprop-2-enoate;(9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate;(9-phenylxanthen-9-yl) 2-methylprop-2-enoate |
| SMILES | C#CC1(OC(=O)C(=C)C)c2ccccc2C(=O)c2ccccc21.C#CCC1(OC(=O)C(=C)C)c2ccccc2C(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2C(=O)c2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2Oc2ccccc21.C=C(C)C(=O)OC1(C2CCCCC2)c2ccccc2Sc2ccccc21.C=C(C)C(=O)OC1(CCCC)c2ccccc2C(=O)c2ccccc21.C=C(C)C(=O)OC1(Cc2ccccc2)c2ccccc2C(=O)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2Oc2ccccc21.C=C(C)C(=O)OC1(c2ccccc2)c2ccccc2Sc2ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2C(=O)c2ccccc21.C=CCC1(OC(=O)C(=C)C)c2ccccc2C(=O)c2ccccc21 |
| InChI | InChI=1S/C25H20O3.C24H24O3.C24H18O3.C23H24O3.C23H18O3.C23H24O2S.C23H18O2S.C22H22O3.C21H18O3.C21H16O3.C20H16O3.C20H14O3/c1-17(2)24(27)28-25(16-18-10-4-3-5-11-18)21-14-8-6-12-19(21)23(26)20-13-7-9-15-22(20)25;2*1-16(2)23(26)27-24(17-10-4-3-5-11-17)20-14-8-6-12-18(20)22(25)19-13-7-9-15-21(19)24;2*1-16(2)22(24)26-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)23;2*1-16(2)22(24)25-23(17-10-4-3-5-11-17)18-12-6-8-14-20(18)26-21-15-9-7-13-19(21)23;1-4-5-14-22(25-21(24)15(2)3)18-12-8-6-10-16(18)20(23)17-11-7-9-13-19(17)22;2*1-4-13-21(24-20(23)14(2)3)17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21;2*1-4-20(23-19(22)13(2)3)16-11-7-5-9-14(16)18(21)15-10-6-8-12-17(15)20/h3-15H,1,16H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;6-9,12-15,17H,1,3-5,10-11H2,2H3;3-15H,1H2,2H3;6-13H,2,4-5,14H2,1,3H3;4-12H,1-2,13H2,3H3;1,5-12H,2,13H2,3H3;4-12H,1-2H2,3H3;1,5-12H,2H2,3H3 |
| InChIKey | FVAQUPYWCDLQRR-UHFFFAOYSA-N |
| XLogP | 56.83 |
| TPSA | 470.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 305 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4072.91 |
| LogP ≤ 5 | 56.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |