C124H74Br12F2N10O2 — CID 173270945
5,10-dibromo-2,3-bis(4-bromophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-fluorophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(3-methoxyphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-methylphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-diphenylbenzo[g]quinoxaline (PubChem CID 173270945) has the molecular formula C124H74Br12F2N10O2 and a molecular weight of 2732.87 g/mol. Its IUPAC name is 5,10-dibromo-2,3-bis(4-bromophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-fluorophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(3-methoxyphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-methylphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-diphenylbenzo[g]quinoxaline.
| Compound Name | 5,10-dibromo-2,3-bis(4-bromophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-fluorophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(3-methoxyphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-methylphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-diphenylbenzo[g]quinoxaline |
|---|---|
| PubChem CID | 173270945 |
| Molecular Formula | C124H74Br12F2N10O2 |
| Molecular Weight | 2732.87 g/mol |
| Exact Mass | 2719.62 |
| IUPAC Name | 5,10-dibromo-2,3-bis(4-bromophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-fluorophenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(3-methoxyphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-bis(4-methylphenyl)benzo[g]quinoxaline;5,10-dibromo-2,3-diphenylbenzo[g]quinoxaline |
| SMILES | Brc1c2ccccc2c(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.Brc1ccc(-c2nc3c(Br)c4ccccc4c(Br)c3nc2-c2ccc(Br)cc2)cc1.COc1cccc(-c2nc3c(Br)c4ccccc4c(Br)c3nc2-c2cccc(OC)c2)c1.Cc1ccc(-c2nc3c(Br)c4ccccc4c(Br)c3nc2-c2ccc(C)cc2)cc1.Fc1ccc(-c2nc3c(Br)c4ccccc4c(Br)c3nc2-c2ccc(F)cc2)cc1 |
| InChI | InChI=1S/C26H18Br2N2O2.C26H18Br2N2.C24H12Br4N2.C24H12Br2F2N2.C24H14Br2N2/c1-31-17-9-5-7-15(13-17)23-24(16-8-6-10-18(14-16)32-2)30-26-22(28)20-12-4-3-11-19(20)21(27)25(26)29-23;1-15-7-11-17(12-8-15)23-24(18-13-9-16(2)10-14-18)30-26-22(28)20-6-4-3-5-19(20)21(27)25(26)29-23;25-15-9-5-13(6-10-15)21-22(14-7-11-16(26)12-8-14)30-24-20(28)18-4-2-1-3-17(18)19(27)23(24)29-21;25-19-17-3-1-2-4-18(17)20(26)24-23(19)29-21(13-5-9-15(27)10-6-13)22(30-24)14-7-11-16(28)12-8-14;25-19-17-13-7-8-14-18(17)20(26)24-23(19)27-21(15-9-3-1-4-10-15)22(28-24)16-11-5-2-6-12-16/h3-14H,1-2H3;3-14H,1-2H3;2*1-12H;1-14H |
| InChIKey | QANFYLQOBWISAI-UHFFFAOYSA-N |
| XLogP | 40.65 |
| TPSA | 147.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2732.87 |
| LogP ≤ 5 | 40.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|