C140H91N17O10 — CID 161213383
4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 161213383) has the molecular formula C140H91N17O10 and a molecular weight of 2171.38 g/mol. Its IUPAC name is 4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione.
| Compound Name | 4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 161213383 |
| Molecular Formula | C140H91N17O10 |
| Molecular Weight | 2171.38 g/mol |
| Exact Mass | 2169.71 |
| IUPAC Name | 4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione |
| SMILES | CN1C(=O)c2cccc(-n3c4c(-c5ccccn5)cccc4c4cccc(-c5ccccn5)c43)c2C1=O.CN1C(=O)c2cccc(-n3c4cc(-c5ccccn5)ccc4c4ccc(-c5ccccn5)cc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccccn5)ccc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4ccc(-c5ccccn5)cc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4cccc(-c5ccccn5)c43)c2C1=O |
| InChI | InChI=1S/2C31H20N4O2.3C26H17N3O2/c1-34-30(36)23-13-8-16-26(27(23)31(34)37)35-28-19(9-6-11-21(28)24-14-2-4-17-32-24)20-10-7-12-22(29(20)35)25-15-3-5-18-33-25;1-34-30(36)23-7-6-10-26(29(23)31(34)37)35-27-17-19(24-8-2-4-15-32-24)11-13-21(27)22-14-12-20(18-28(22)35)25-9-3-5-16-33-25;1-28-25(30)19-11-7-14-22(23(19)26(28)31)29-21-13-3-2-8-16(21)17-9-6-10-18(24(17)29)20-12-4-5-15-27-20;1-28-25(30)19-8-6-11-22(24(19)26(28)31)29-21-10-3-2-7-17(21)18-13-12-16(15-23(18)29)20-9-4-5-14-27-20;1-28-25(30)18-8-6-11-23(24(18)26(28)31)29-21-10-3-2-7-17(21)19-15-16(12-13-22(19)29)20-9-4-5-14-27-20/h2*2-18H,1H3;3*2-15H,1H3 |
| InChIKey | UWNONDDKKQZERW-UHFFFAOYSA-N |
| XLogP | 27.48 |
| TPSA | 301.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2171.38 |
| LogP ≤ 5 | 27.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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