C123H109F11N14O10 — CID 159839629
bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine;2,10-difluoro-6-(oxolan-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 159839629) has the molecular formula C123H109F11N14O10 and a molecular weight of 2152.29 g/mol. Its IUPAC name is bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine;2,10-difluoro-6-(oxolan-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole.
| Compound Name | bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine;2,10-difluoro-6-(oxolan-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 159839629 |
| Molecular Formula | C123H109F11N14O10 |
| Molecular Weight | 2152.29 g/mol |
| Exact Mass | 2150.83 |
| IUPAC Name | bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine;2,10-difluoro-6-(oxolan-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole |
| SMILES | CCN(CC)CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCCN(CC)CC)cc5c4cc3c2c1.COc1c2[nH]c3ccc(F)cc3c2c(N2CCOCC2)c2c1[nH]c1ccc(F)cc12.Fc1ccc2[nH]c3c(C(F)(F)F)c4[nH]c5ccc(F)cc5c4cc3c2c1.Fc1ccc2[nH]c3c(OCC4CCCO4)c4[nH]c5ccc(F)cc5c4cc3c2c1.Fc1ccc2[nH]c3c(OCCN4CCCCC4)c4[nH]c5ccc(F)cc5c4cc3c2c1 |
| InChI | InChI=1S/C33H40N4O5.C25H23F2N3O.C23H19F2N3O2.C23H18F2N2O2.C19H9F5N2/c1-6-36(7-2)14-16-41-32(38)21-10-12-27-23(18-21)25-20-26-24-19-22(33(39)42-17-15-37(8-3)9-4)11-13-28(24)35-30(26)31(40-5)29(25)34-27;26-15-4-6-21-17(12-15)19-14-20-18-13-16(27)5-7-22(18)29-24(20)25(23(19)28-21)31-11-10-30-8-2-1-3-9-30;1-29-23-20-18(14-10-12(24)2-4-16(14)26-20)22(28-6-8-30-9-7-28)19-15-11-13(25)3-5-17(15)27-21(19)23;24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)27-22(18)23(21(17)26-19)29-11-14-2-1-7-28-14;20-8-1-3-14-10(5-8)12-7-13-11-6-9(21)2-4-15(11)26-18(13)16(17(12)25-14)19(22,23)24/h10-13,18-20,34-35H,6-9,14-17H2,1-5H3;4-7,12-14,28-29H,1-3,8-11H2;2-5,10-11,26-27H,6-9H2,1H3;3-6,8-10,14,26-27H,1-2,7,11H2;1-7,25-26H |
| InChIKey | NONAKSCNRMZTTJ-UHFFFAOYSA-N |
| XLogP | 29.18 |
| TPSA | 278.84 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2152.29 |
| LogP ≤ 5 | 29.18 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
|---|