C222H136N20 — CID 159766459
12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-1-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-2-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole;12-quinoxalin-2-yl-11-triphenylen-2-ylindolo[2,3-a]carbazole (PubChem CID 159766459) has the molecular formula C222H136N20 and a molecular weight of 3083.67 g/mol. Its IUPAC name is 12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-1-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-2-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole;12-quinoxalin-2-yl-11-triphenylen-2-ylindolo[2,3-a]carbazole.
| Compound Name | 12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-1-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-2-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole;12-quinoxalin-2-yl-11-triphenylen-2-ylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 159766459 |
| Molecular Formula | C222H136N20 |
| Molecular Weight | 3083.67 g/mol |
| Exact Mass | 3081.13 |
| IUPAC Name | 12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-1-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-2-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole;12-quinoxalin-2-yl-11-triphenylen-2-ylindolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc6ccccc6nc5-c5cccc6ccccc56)c4c32)cc1.c1ccc2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c43)cnc2c1 |
| InChI | InChI=1S/C50H30N4.C44H26N4.C44H28N4.2C42H26N4/c1-2-14-31(15-3-1)47-50(52-44-23-11-10-22-43(44)51-47)54-46-25-13-9-21-39(46)41-29-28-40-38-20-8-12-24-45(38)53(48(40)49(41)54)32-26-27-37-35-18-5-4-16-33(35)34-17-6-7-19-36(34)42(37)30-32;1-2-13-30-28(11-1)29-12-3-4-14-31(29)37-25-27(21-22-32(30)37)47-40-19-9-5-15-33(40)35-23-24-36-34-16-6-10-20-41(34)48(44(36)43(35)47)42-26-45-38-17-7-8-18-39(38)46-42;1-4-14-29(15-5-1)31-24-27-37-38(28-31)46-44(41(45-37)30-16-6-2-7-17-30)48-40-23-13-11-21-34(40)36-26-25-35-33-20-10-12-22-39(33)47(42(35)43(36)48)32-18-8-3-9-19-32;1-2-15-28(16-3-1)45-37-23-10-6-18-30(37)33-25-26-34-31-19-7-11-24-38(31)46(41(34)40(33)45)42-39(43-35-21-8-9-22-36(35)44-42)32-20-12-14-27-13-4-5-17-29(27)32;1-2-14-30(15-3-1)45-37-20-10-6-16-31(37)33-24-25-34-32-17-7-11-21-38(32)46(41(34)40(33)45)42-39(43-35-18-8-9-19-36(35)44-42)29-23-22-27-12-4-5-13-28(27)26-29/h1-30H;1-26H;1-28H;2*1-26H |
| InChIKey | NFOIQGBBCAYRHB-UHFFFAOYSA-N |
| XLogP | 56.68 |
| TPSA | 178.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 242 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3083.67 |
| LogP ≤ 5 | 56.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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