C180H131N17O10 — CID 157102375
4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione (PubChem CID 157102375) has the molecular formula C180H131N17O10 and a molecular weight of 2692.14 g/mol. Its IUPAC name is 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione.
| Compound Name | 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 157102375 |
| Molecular Formula | C180H131N17O10 |
| Molecular Weight | 2692.14 g/mol |
| Exact Mass | 2690.03 |
| IUPAC Name | 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione |
| SMILES | Cc1cc(C)c(N2C(=O)c3cccc(-n4c5c(-c6cccnc6)cccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5cc(-c6cccnc6)ccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cc(-c6cccnc6)ccc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1 |
| InChI | InChI=1S/2C39H28N4O2.3C34H25N3O2/c1-23-19-24(2)35(25(3)20-23)43-38(44)32-15-6-16-33(34(32)39(43)45)42-36-28(26-9-7-17-40-21-26)11-4-13-30(36)31-14-5-12-29(37(31)42)27-10-8-18-41-22-27;1-23-17-24(2)37(25(3)18-23)43-38(44)32-9-4-10-33(36(32)39(43)45)42-34-19-26(28-7-5-15-40-21-28)11-13-30(34)31-14-12-27(20-35(31)42)29-8-6-16-41-22-29;1-20-17-21(2)31(22(3)18-20)37-33(38)27-13-7-15-29(30(27)34(37)39)36-28-14-5-4-10-25(28)26-12-6-11-24(32(26)36)23-9-8-16-35-19-23;1-20-16-21(2)32(22(3)17-20)37-33(38)27-10-6-12-29(31(27)34(37)39)36-28-11-5-4-9-25(28)26-14-13-23(18-30(26)36)24-8-7-15-35-19-24;1-20-16-21(2)32(22(3)17-20)37-33(38)26-10-6-12-30(31(26)34(37)39)36-28-11-5-4-9-25(28)27-18-23(13-14-29(27)36)24-8-7-15-35-19-24/h2*4-22H,1-3H3;3*4-19H,1-3H3 |
| InChIKey | AFXHQKHDJGVLNW-UHFFFAOYSA-N |
| XLogP | 39.98 |
| TPSA | 301.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2692.14 |
| LogP ≤ 5 | 39.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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