C206H130N14O8 — CID 157181089
4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 157181089) has the molecular formula C206H130N14O8 and a molecular weight of 2929.40 g/mol. Its IUPAC name is 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
| Compound Name | 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 157181089 |
| Molecular Formula | C206H130N14O8 |
| Molecular Weight | 2929.40 g/mol |
| Exact Mass | 2927.02 |
| IUPAC Name | 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
| SMILES | O=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4c(-c5ccncc5)cccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 |
| InChI | InChI=1S/2C54H34N4O2.2C49H31N3O2/c59-53-45-17-10-18-48(57-49-33-40(36-23-27-55-28-24-36)19-21-43(49)44-22-20-41(34-50(44)57)37-25-29-56-30-26-37)51(45)54(60)58(53)52-46(38-13-6-2-7-14-38)31-42(35-11-4-1-5-12-35)32-47(52)39-15-8-3-9-16-39;59-53-43-17-10-18-50(57-48-21-19-40(36-23-27-55-28-24-36)31-46(48)47-32-41(20-22-49(47)57)37-25-29-56-30-26-37)51(43)54(60)58(53)52-44(38-13-6-2-7-14-38)33-42(35-11-4-1-5-12-35)34-45(52)39-15-8-3-9-16-39;53-48-39-22-13-25-44(51-42-23-11-10-20-38(42)45-37(21-12-24-43(45)51)35-26-28-50-29-27-35)46(39)49(54)52(48)47-40(33-16-6-2-7-17-33)30-36(32-14-4-1-5-15-32)31-41(47)34-18-8-3-9-19-34;53-48-39-20-12-22-45(51-43-21-11-10-19-38(43)42-29-36(23-24-44(42)51)33-25-27-50-28-26-33)46(39)49(54)52(48)47-40(34-15-6-2-7-16-34)30-37(32-13-4-1-5-14-32)31-41(47)35-17-8-3-9-18-35/h2*1-34H;2*1-31H |
| InChIKey | AOOPDWWDSRKLRO-UHFFFAOYSA-N |
| XLogP | 48.71 |
| TPSA | 246.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2929.40 |
| LogP ≤ 5 | 48.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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