C222H149N21O — CID 157164567
2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline (PubChem CID 157164567) has the molecular formula C222H149N21O and a molecular weight of 3126.78 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline.
| Compound Name | 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline |
|---|---|
| PubChem CID | 157164567 |
| Molecular Formula | C222H149N21O |
| Molecular Weight | 3126.78 g/mol |
| Exact Mass | 3124.23 |
| IUPAC Name | 2-(4-tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline |
| SMILES | CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6c7ccccc7nc(-c7ccccn7)c6n5-c5ccccc5)ccc3-4)o2)cc1.CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc4c5ccccc5nc(-c5ccccn5)c4n3-c3ccccc3)cc21.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3c4ccccc4nc(-c4ccccn4)c32)cc1.c1ccc(-n2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccnc5)ccc3-4)nc3c4ccccc4nc(-c4ccccn4)c32)cc1 |
| InChI | InChI=1S/C61H38N4.C58H42N6O.C52H36N6.C51H33N5/c1-2-18-48(19-3-1)65-60-58(52-22-10-11-23-54(52)63-59(60)55-24-12-13-35-62-55)64-61(65)42-29-25-41(26-30-42)45-33-34-51-53(38-45)57(47-32-28-40-15-5-7-17-44(40)37-47)50-21-9-8-20-49(50)56(51)46-31-27-39-14-4-6-16-43(39)36-46;1-57(2,3)40-30-26-37(27-31-40)55-62-63-56(65-55)39-29-33-45-44-32-28-38(35-47(44)58(48(45)36-39,41-17-7-4-8-18-41)42-19-9-5-10-20-42)54-61-51-46-23-13-14-24-49(46)60-52(50-25-15-16-34-59-50)53(51)64(54)43-21-11-6-12-22-43;1-52(2)41-30-35(46-32-45(33-16-6-3-7-17-33)55-50(56-46)34-18-8-4-9-19-34)25-27-38(41)39-28-26-36(31-42(39)52)51-57-47-40-22-12-13-23-43(40)54-48(44-24-14-15-29-53-44)49(47)58(51)37-20-10-5-11-21-37;1-4-16-37(17-5-1)51(38-18-6-2-7-19-38)43-31-34(36-15-14-29-52-33-36)25-27-40(43)41-28-26-35(32-44(41)51)50-55-47-42-22-10-11-23-45(42)54-48(46-24-12-13-30-53-46)49(47)56(50)39-20-8-3-9-21-39/h1-38H;4-36H,1-3H3;3-32H,1-2H3;1-33H |
| InChIKey | AMTKBIUSORRRBU-UHFFFAOYSA-N |
| XLogP | 53.72 |
| TPSA | 251.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3126.78 |
| LogP ≤ 5 | 53.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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