C288H172F24N28O2 — CID 159703790
6-[2,3-bis(2-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(3-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;[4-[7-(2,3-diphenylquinoxalin-6-yl)-3-phenylquinoxalin-2-yl]phenyl] acetate (PubChem CID 159703790) has the molecular formula C288H172F24N28O2 and a molecular weight of 4512.69 g/mol. Its IUPAC name is 6-[2,3-bis(2-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(3-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;[4-[7-(2,3-diphenylquinoxalin-6-yl)-3-phenylquinoxalin-2-yl]phenyl] acetate.
| Compound Name | 6-[2,3-bis(2-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(3-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;[4-[7-(2,3-diphenylquinoxalin-6-yl)-3-phenylquinoxalin-2-yl]phenyl] acetate |
|---|---|
| PubChem CID | 159703790 |
| Molecular Formula | C288H172F24N28O2 |
| Molecular Weight | 4512.69 g/mol |
| Exact Mass | 4509.38 |
| IUPAC Name | 6-[2,3-bis(2-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(3-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;6-[2,3-bis[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-2,3-diphenylquinoxaline;[4-[7-(2,3-diphenylquinoxalin-6-yl)-3-phenylquinoxalin-2-yl]phenyl] acetate |
| SMILES | CC(=O)Oc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1cccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2cccc(C(F)(F)F)c2)c1.FC(F)(F)c1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2nc1-c1ccccc1C(F)(F)F.Fc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccc(F)cc2)cc1.Fc1cccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2cccc(F)c2)c1.Fc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2nc1-c1ccccc1F |
| InChI | InChI=1S/3C42H24F6N4.C42H28N4O2.3C40H24F2N4/c43-41(44,45)31-17-9-7-15-29(31)39-40(30-16-8-10-18-32(30)42(46,47)48)52-36-24-28(20-22-34(36)50-39)27-19-21-33-35(23-27)51-38(26-13-5-2-6-14-26)37(49-33)25-11-3-1-4-12-25;43-41(44,45)31-15-7-13-29(21-31)39-40(30-14-8-16-32(22-30)42(46,47)48)52-36-24-28(18-20-34(36)50-39)27-17-19-33-35(23-27)51-38(26-11-5-2-6-12-26)37(49-33)25-9-3-1-4-10-25;43-41(44,45)31-17-11-27(12-18-31)39-40(28-13-19-32(20-14-28)42(46,47)48)52-36-24-30(16-22-34(36)50-39)29-15-21-33-35(23-29)51-38(26-9-5-2-6-10-26)37(49-33)25-7-3-1-4-8-25;1-27(47)48-34-21-17-31(18-22-34)42-40(29-13-7-3-8-14-29)44-36-24-20-33(26-38(36)46-42)32-19-23-35-37(25-32)45-41(30-15-9-4-10-16-30)39(43-35)28-11-5-2-6-12-28;41-31-17-9-7-15-29(31)39-40(30-16-8-10-18-32(30)42)46-36-24-28(20-22-34(36)44-39)27-19-21-33-35(23-27)45-38(26-13-5-2-6-14-26)37(43-33)25-11-3-1-4-12-25;41-31-15-7-13-29(21-31)39-40(30-14-8-16-32(42)22-30)46-36-24-28(18-20-34(36)44-39)27-17-19-33-35(23-27)45-38(26-11-5-2-6-12-26)37(43-33)25-9-3-1-4-10-25;41-31-17-11-27(12-18-31)39-40(28-13-19-32(42)20-14-28)46-36-24-30(16-22-34(36)44-39)29-15-21-33-35(23-29)45-38(26-9-5-2-6-10-26)37(43-33)25-7-3-1-4-8-25/h3*1-24H;2-26H,1H3;3*1-24H |
| InChIKey | MXYLTUPGUSFWRV-UHFFFAOYSA-N |
| XLogP | 76.23 |
| TPSA | 387.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 342 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4512.69 |
| LogP ≤ 5 | 76.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |