C195H126N16O4 — CID 158223952
2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole (PubChem CID 158223952) has the molecular formula C195H126N16O4 and a molecular weight of 2757.26 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole.
| Compound Name | 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 158223952 |
| Molecular Formula | C195H126N16O4 |
| Molecular Weight | 2757.26 g/mol |
| Exact Mass | 2755.01 |
| IUPAC Name | 2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole |
| SMILES | CC1(C)c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)ccc2-c2ccc(-c3nnc(-c4ccccc4)o3)cc21.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)cc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1.c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3-4)o2)cc1 |
| InChI | InChI=1S/C53H32N4O.C53H34N4O.C46H30N4O.C43H30N4O/c1-3-13-34(14-4-1)49-50(55-48-22-12-11-21-47(48)54-49)35-25-23-33(24-26-35)37-27-29-41-42-30-28-38(52-57-56-51(58-52)36-15-5-2-6-16-36)32-46(42)53(45(41)31-37)43-19-9-7-17-39(43)40-18-8-10-20-44(40)53;1-5-15-36(16-6-1)49-50(55-48-24-14-13-23-47(48)54-49)37-27-25-35(26-28-37)39-29-31-43-44-32-30-40(52-57-56-51(58-52)38-17-7-2-8-18-38)34-46(44)53(45(43)33-39,41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-3-9-37(10-4-1)43-44(48-42-14-8-7-13-41(42)47-43)38-27-23-35(24-28-38)33-19-15-31(16-20-33)32-17-21-34(22-18-32)36-25-29-40(30-26-36)46-50-49-45(51-46)39-11-5-2-6-12-39;1-43(2)35-25-31(21-23-33(35)34-24-22-32(26-36(34)43)42-47-46-41(48-42)30-13-7-4-8-14-30)27-17-19-29(20-18-27)40-39(28-11-5-3-6-12-28)44-37-15-9-10-16-38(37)45-40/h1-32H;1-34H;1-30H;3-26H,1-2H3 |
| InChIKey | GDOQEEZBYVXGJQ-UHFFFAOYSA-N |
| XLogP | 47.74 |
| TPSA | 258.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2757.26 |
| LogP ≤ 5 | 47.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |