C222H192O18 — CID 162234632
(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopentylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopropylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate (PubChem CID 162234632) has the molecular formula C222H192O18 and a molecular weight of 3147.96 g/mol. Its IUPAC name is (11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopentylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopropylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate.
| Compound Name | (11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopentylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopropylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate |
|---|---|
| PubChem CID | 162234632 |
| Molecular Formula | C222H192O18 |
| Molecular Weight | 3147.96 g/mol |
| Exact Mass | 3145.41 |
| IUPAC Name | (11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopentylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopropylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate |
| SMILES | C=C(C)C(=O)OC1(/C=C/C)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(/C=C/C)c2ccccc2-c2cc3ccccc3cc21.C=C(C)C(=O)OC1(/C=C/C)c2ccccc2-c2ccc3ccccc3c21.C=C(C)C(=O)OC1(C2CC2)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(C2CC2)c2ccccc2-c2cc3ccccc3cc21.C=C(C)C(=O)OC1(C2CC2)c2ccccc2-c2ccc3ccccc3c21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2-c2cc3ccccc3cc21.C=C(C)C(=O)OC1(C2CCCC2)c2ccccc2-c2ccc3ccccc3c21 |
| InChI | InChI=1S/3C26H24O2.6C24H20O2/c1-17(2)25(27)28-26(19-10-4-5-11-19)23-14-8-7-13-21(23)22-16-15-18-9-3-6-12-20(18)24(22)26;1-17(2)25(27)28-26(19-10-4-5-11-19)22-14-8-7-13-21(22)24-20-12-6-3-9-18(20)15-16-23(24)26;1-17(2)25(27)28-26(20-11-5-6-12-20)23-14-8-7-13-21(23)22-15-18-9-3-4-10-19(18)16-24(22)26;1-15(2)23(25)26-24(17-12-13-17)21-10-6-5-9-19(21)20-14-11-16-7-3-4-8-18(16)22(20)24;1-15(2)23(25)26-24(17-12-13-17)20-10-6-5-9-19(20)22-18-8-4-3-7-16(18)11-14-21(22)24;1-15(2)23(25)26-24(18-11-12-18)21-10-6-5-9-19(21)20-13-16-7-3-4-8-17(16)14-22(20)24;1-4-15-24(26-23(25)16(2)3)21-12-8-7-11-19(21)20-14-13-17-9-5-6-10-18(17)22(20)24;1-4-15-24(26-23(25)16(2)3)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24;1-4-13-24(26-23(25)16(2)3)21-12-8-7-11-19(21)20-14-17-9-5-6-10-18(17)15-22(20)24/h2*3,6-9,12-16,19H,1,4-5,10-11H2,2H3;3-4,7-10,13-16,20H,1,5-6,11-12H2,2H3;2*3-11,14,17H,1,12-13H2,2H3;3-10,13-14,18H,1,11-12H2,2H3;3*4-15H,2H2,1,3H3/b;;;;;;2*15-4+;13-4+ |
| InChIKey | ZVWZAWCYIPERIR-HYESEWOTSA-N |
| XLogP | 53.18 |
| TPSA | 236.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3147.96 |
| LogP ≤ 5 | 53.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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