C178H184N8O20 — CID 160705992
ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione (PubChem CID 160705992) has the molecular formula C178H184N8O20 and a molecular weight of 2755.47 g/mol. Its IUPAC name is ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione.
| Compound Name | ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione |
|---|---|
| PubChem CID | 160705992 |
| Molecular Formula | C178H184N8O20 |
| Molecular Weight | 2755.47 g/mol |
| Exact Mass | 2753.36 |
| IUPAC Name | ethane;2-ethyl-5-[[4-[5-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[8-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[4-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]phenyl]cyclohexyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[3-[4-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-phenylphenyl]phenyl]methyl]isoindole-1,3-dione |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(Cc3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cc5)c4)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5c(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cccc5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5cccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)c5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4ccc(C5CCC(Cc6ccc7c(c6)C(=O)N(CC)C7=O)CC5)cc4)cc3)cc2C1=O |
| InChI | InChI=1S/C46H36N2O4.C40H38N2O4.2C37H28N2O6.9C2H6/c1-3-47-43(49)39-20-14-31(24-41(39)45(47)51)22-29-10-16-34(17-11-29)37-26-36(33-8-6-5-7-9-33)27-38(28-37)35-18-12-30(13-19-35)23-32-15-21-40-42(25-32)46(52)48(4-2)44(40)50;1-3-41-37(43)33-19-9-27(23-35(33)39(41)45)21-25-5-11-29(12-6-25)31-15-17-32(18-16-31)30-13-7-26(8-14-30)22-28-10-20-34-36(24-28)40(46)42(4-2)38(34)44;1-3-38-33(40)26-14-10-22(18-30(26)35(38)42)16-21-8-12-24(13-9-21)29-20-28-25(6-5-7-32(28)45-37(29)44)17-23-11-15-27-31(19-23)36(43)39(4-2)34(27)41;1-3-38-33(40)27-14-10-22(18-30(27)35(38)42)16-21-8-12-24(13-9-21)29-20-26-7-5-6-25(32(26)45-37(29)44)17-23-11-15-28-31(19-23)36(43)39(4-2)34(28)41;9*1-2/h5-21,24-28H,3-4,22-23H2,1-2H3;5-6,9-12,15-20,23-24,26,30H,3-4,7-8,13-14,21-22H2,1-2H3;2*5-15,18-20H,3-4,16-17H2,1-2H3;9*1-2H3 |
| InChIKey | RRFUALZKRWYQOJ-UHFFFAOYSA-N |
| XLogP | 37.78 |
| TPSA | 359.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2755.47 |
| LogP ≤ 5 | 37.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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