C186H192N6O25 — CID 158876497
2-[4-[N-[4-[3-methoxy-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]-2-methylphenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[2-methyl-4-[3-methyl-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]anilino]phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 158876497) has the molecular formula C186H192N6O25 and a molecular weight of 2911.60 g/mol. Its IUPAC name is 2-[4-[N-[4-[3-methoxy-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]-2-methylphenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[2-methyl-4-[3-methyl-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]anilino]phenyl]ethyl 2-methylprop-2-enoate.
| Compound Name | 2-[4-[N-[4-[3-methoxy-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]-2-methylphenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[2-methyl-4-[3-methyl-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]anilino]phenyl]ethyl 2-methylprop-2-enoate |
|---|---|
| PubChem CID | 158876497 |
| Molecular Formula | C186H192N6O25 |
| Molecular Weight | 2911.60 g/mol |
| Exact Mass | 2909.39 |
| IUPAC Name | 2-[4-[N-[4-[3-methoxy-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]-2-methylphenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[2-methyl-4-[3-methyl-4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]-N-[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino]phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]ethyl 2-methylprop-2-enoate;2-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]phenyl]anilino]phenyl]ethyl 2-methylprop-2-enoate |
| SMILES | C=C(C)C(=O)OCCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(CCOC(=O)C(=C)C)cc4)c4ccc(CCOC(=O)C(=C)C)c(C)c4)cc3)cc2)c2ccc(CCOC(=O)C(=C)C)c(C)c2)cc1.C=C(C)C(=O)OCCc1ccc(N(c2ccc(CCOC(=O)C(=C)C)cc2)c2ccc(-c3ccc(N(c4ccc(CCOC(=O)C(=C)C)cc4)c4ccc(CCOC(=O)C(=C)C)cc4)c(C)c3)cc2C)cc1.C=C(C)C(=O)OCCc1ccc(N(c2ccc(CCOC(=O)C(=C)C)cc2)c2ccc(-c3ccc(N(c4ccc(CCOC(=O)C(=C)C)cc4)c4ccc(CCOC(=O)C(=C)C)cc4)c(OC)c3)cc2C)cc1 |
| InChI | InChI=1S/C62H64N2O9.2C62H64N2O8/c1-41(2)59(65)70-35-31-46-11-21-52(22-12-46)63(53-23-13-47(14-24-53)32-36-71-60(66)42(3)4)56-29-19-50(39-45(56)9)51-20-30-57(58(40-51)69-10)64(54-25-15-48(16-26-54)33-37-72-61(67)43(5)6)55-27-17-49(18-28-55)34-38-73-62(68)44(7)8;1-41(2)59(65)69-35-31-47-11-21-53(22-12-47)63(57-29-15-49(45(9)39-57)33-37-71-61(67)43(5)6)55-25-17-51(18-26-55)52-19-27-56(28-20-52)64(54-23-13-48(14-24-54)32-36-70-60(66)42(3)4)58-30-16-50(46(10)40-58)34-38-72-62(68)44(7)8;1-41(2)59(65)69-35-31-47-11-21-53(22-12-47)63(54-23-13-48(14-24-54)32-36-70-60(66)42(3)4)57-29-19-51(39-45(57)9)52-20-30-58(46(10)40-52)64(55-25-15-49(16-26-55)33-37-71-61(67)43(5)6)56-27-17-50(18-28-56)34-38-72-62(68)44(7)8/h11-30,39-40H,1,3,5,7,31-38H2,2,4,6,8-10H3;2*11-30,39-40H,1,3,5,7,31-38H2,2,4,6,8-10H3 |
| InChIKey | JCMQBNSFPGDOQH-UHFFFAOYSA-N |
| XLogP | 40.37 |
| TPSA | 344.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 217 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.60 |
| LogP ≤ 5 | 40.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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