C206H200O22 — CID 159005404
5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene (PubChem CID 159005404) has the molecular formula C206H200O22 and a molecular weight of 3027.84 g/mol. Its IUPAC name is 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene.
| Compound Name | 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene |
|---|---|
| PubChem CID | 159005404 |
| Molecular Formula | C206H200O22 |
| Molecular Weight | 3027.84 g/mol |
| Exact Mass | 3025.45 |
| IUPAC Name | 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene |
| SMILES | C=C.C=C.C=C.C=C(C)C(=O)OCCCCCC1(C(CCCC)OC(=O)C(=C)C)c2ccccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(CCOC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(OC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)C(CCCOC(=O)C=C)(COC(=O)C=C)c2cc(-c4ccc5ccc6cc(C(C)(C)C)cc7ccc4c5c67)ccc2-3)cc1 |
| InChI | InChI=1S/C55H50O6.C51H54O4.C48H44O6.C46H40O6.3C2H4/c1-7-49(56)59-28-10-12-35-13-15-36(16-14-35)38-20-24-44-45-25-21-39(33-48(45)55(47(44)32-38,34-61-51(58)9-3)27-11-29-60-50(57)8-2)43-23-19-37-17-18-40-30-42(54(4,5)6)31-41-22-26-46(43)53(37)52(40)41;1-9-10-18-45(55-49(53)33(4)5)51(27-14-11-15-28-54-48(52)32(2)3)43-17-13-12-16-40(43)41-25-22-35(31-44(41)51)39-24-21-34-19-20-36-29-38(50(6,7)8)30-37-23-26-42(39)47(34)46(36)37;1-7-42(49)52-23-10-22-48(29-54-44(51)9-3)40-25-30(21-24-53-43(50)8-2)11-17-37(40)38-19-15-32(28-41(38)48)36-18-14-31-12-13-33-26-35(47(4,5)6)27-34-16-20-39(36)46(31)45(33)34;1-7-40(47)50-22-10-21-46(27-51-41(48)8-2)38-25-29(14-18-35(38)36-20-16-33(26-39(36)46)52-42(49)9-3)34-17-13-28-11-12-30-23-32(45(4,5)6)24-31-15-19-37(34)44(28)43(30)31;3*1-2/h7-9,13-26,30-33H,1-3,10-12,27-29,34H2,4-6H3;12-13,16-17,19-26,29-31,45H,2,4,9-11,14-15,18,27-28H2,1,3,5-8H3;7-9,11-20,25-28H,1-3,10,21-24,29H2,4-6H3;7-9,11-20,23-26H,1-3,10,21-22,27H2,4-6H3;3*1-2H2 |
| InChIKey | JRVXUBBYNJCUDQ-UHFFFAOYSA-N |
| XLogP | 48.43 |
| TPSA | 289.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3027.84 |
| LogP ≤ 5 | 48.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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