C230H144N18O10 — CID 160733873
2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 160733873) has the molecular formula C230H144N18O10 and a molecular weight of 3319.80 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione.
| Compound Name | 2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 160733873 |
| Molecular Formula | C230H144N18O10 |
| Molecular Weight | 3319.80 g/mol |
| Exact Mass | 3317.13 |
| IUPAC Name | 2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione |
| SMILES | O=C1c2cccc(-n3c4c(-c5ccncc5)cccc4c4cccc(-c5ccncc5)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1-c1ccccc1.O=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.O=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cccc(-c5ccncc5)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1-c1ccccc1 |
| InChI | InChI=1S/3C48H30N4O2.2C43H27N3O2/c53-47-40-20-10-22-42(44(40)48(54)52(47)41-21-9-15-35(31-11-3-1-4-12-31)43(41)34-13-5-2-6-14-34)51-45-36(32-23-27-49-28-24-32)16-7-18-38(45)39-19-8-17-37(46(39)51)33-25-29-50-30-26-33;53-47-40-14-8-16-42(46(40)48(54)52(47)41-15-7-13-37(33-9-3-1-4-10-33)45(41)34-11-5-2-6-12-34)51-43-29-35(31-21-25-49-26-22-31)17-19-38(43)39-20-18-36(30-44(39)51)32-23-27-50-28-24-32;53-47-40-12-7-13-45(46(40)48(54)51(47)39-27-37(31-8-3-1-4-9-31)26-38(28-39)32-10-5-2-6-11-32)52-43-16-14-35(33-18-22-49-23-19-33)29-41(43)42-30-36(15-17-44(42)52)34-20-24-50-25-21-34;47-42-35-20-11-23-38(45-36-21-8-7-16-33(36)34-19-9-18-32(41(34)45)29-24-26-44-27-25-29)40(35)43(48)46(42)37-22-10-17-31(28-12-3-1-4-13-28)39(37)30-14-5-2-6-15-30;47-42-35-17-10-20-38(45-36-18-8-7-15-33(36)34-22-21-31(27-39(34)45)28-23-25-44-26-24-28)41(35)43(48)46(42)37-19-9-16-32(29-11-3-1-4-12-29)40(37)30-13-5-2-6-14-30/h3*1-30H;2*1-27H |
| InChIKey | RURUQGIMYJTQIC-UHFFFAOYSA-N |
| XLogP | 53.09 |
| TPSA | 314.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3319.80 |
| LogP ≤ 5 | 53.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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