C236H146N14O8 — CID 158623513
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 158623513) has the molecular formula C236H146N14O8 and a molecular weight of 3305.85 g/mol. Its IUPAC name is 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
| Compound Name | 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 158623513 |
| Molecular Formula | C236H146N14O8 |
| Molecular Weight | 3305.85 g/mol |
| Exact Mass | 3303.14 |
| IUPAC Name | 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
| SMILES | O=C1c2cccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C(=O)N1c1ccccc1-c1ccccc1 |
| InChI | InChI=1S/2C68H42N4O2.C56H35N3O2.C44H27N3O2/c73-67-55-29-18-34-62(65(55)68(74)72(67)66-56(44-21-6-2-7-22-44)39-46(43-19-4-1-5-20-43)40-57(66)45-23-8-3-9-24-45)71-63-41-47(69-58-30-14-10-25-49(58)50-26-11-15-31-59(50)69)35-37-53(63)54-38-36-48(42-64(54)71)70-60-32-16-12-27-51(60)52-28-13-17-33-61(52)70;73-67-53-29-18-34-64(65(53)68(74)72(67)66-54(44-21-6-2-7-22-44)39-46(43-19-4-1-5-20-43)40-55(66)45-23-8-3-9-24-45)71-62-37-35-47(69-58-30-14-10-25-49(58)50-26-11-15-31-59(50)69)41-56(62)57-42-48(36-38-63(57)71)70-60-32-16-12-27-51(60)52-28-13-17-33-61(52)70;60-55-44-26-16-30-52(58-50-29-15-12-25-43(50)47-35-40(31-32-51(47)58)57-48-27-13-10-23-41(48)42-24-11-14-28-49(42)57)53(44)56(61)59(55)54-45(37-19-6-2-7-20-37)33-39(36-17-4-1-5-18-36)34-46(54)38-21-8-3-9-22-38;48-43-34-21-13-26-39(41(34)44(49)47(43)35-22-8-4-16-29(35)28-14-2-1-3-15-28)46-38-25-11-7-19-32(38)33-20-12-27-40(42(33)46)45-36-23-9-5-17-30(36)31-18-6-10-24-37(31)45/h2*1-42H;1-35H;1-27H |
| InChIKey | HYHIBZLCHLCXKI-UHFFFAOYSA-N |
| XLogP | 57.59 |
| TPSA | 198.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3305.85 |
| LogP ≤ 5 | 57.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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