C215H133F9N28P2S — CID 159331146
6-[2-[4-[2-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]ethynyl]phenyl]ethynyl]-2,3-bis(4-fluorophenyl)quinoxaline;2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline;2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline;[6-fluoro-3-[4-(7-fluoro-3-phosphanylquinoxalin-2-yl)phenyl]quinoxalin-2-yl]phosphane;6-methyl-3-[4-(7-methyl-3-phenylquinoxalin-2-yl)phenyl]-2-phenylquinoxaline;11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 159331146) has the molecular formula C215H133F9N28P2S and a molecular weight of 3373.62 g/mol. Its IUPAC name is 6-[2-[4-[2-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]ethynyl]phenyl]ethynyl]-2,3-bis(4-fluorophenyl)quinoxaline;2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline;2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline;[6-fluoro-3-[4-(7-fluoro-3-phosphanylquinoxalin-2-yl)phenyl]quinoxalin-2-yl]phosphane;6-methyl-3-[4-(7-methyl-3-phenylquinoxalin-2-yl)phenyl]-2-phenylquinoxaline;11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline.
| Compound Name | 6-[2-[4-[2-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]ethynyl]phenyl]ethynyl]-2,3-bis(4-fluorophenyl)quinoxaline;2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline;2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline;[6-fluoro-3-[4-(7-fluoro-3-phosphanylquinoxalin-2-yl)phenyl]quinoxalin-2-yl]phosphane;6-methyl-3-[4-(7-methyl-3-phenylquinoxalin-2-yl)phenyl]-2-phenylquinoxaline;11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline |
|---|---|
| PubChem CID | 159331146 |
| Molecular Formula | C215H133F9N28P2S |
| Molecular Weight | 3373.62 g/mol |
| Exact Mass | 3371.03 |
| IUPAC Name | 6-[2-[4-[2-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]ethynyl]phenyl]ethynyl]-2,3-bis(4-fluorophenyl)quinoxaline;2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline;2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline;[6-fluoro-3-[4-(7-fluoro-3-phosphanylquinoxalin-2-yl)phenyl]quinoxalin-2-yl]phosphane;6-methyl-3-[4-(7-methyl-3-phenylquinoxalin-2-yl)phenyl]-2-phenylquinoxaline;11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline |
| SMILES | Cc1cc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc3)nc2cc1C.Cc1ccc2nc(-c3ccc(-c4nc5cc(F)ccc5nc4-c4ccc(F)cc4)s3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(C)ccc5nc4-c4ccccc4)cc3)nc2c1.Fc1ccc(-c2nc3ccc(C#Cc4ccc(C#Cc5ccc6nc(-c7ccc(F)cc7)c(-c7ccc(F)cc7)nc6c5)cc4)cc3nc2-c2ccc(F)cc2)cc1.Fc1ccc2nc(P)c(-c3ccc(-c4nc5cc(F)ccc5nc4P)cc3)nc2c1.c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)cc3nc1c1cccnc12 |
| InChI | InChI=1S/C50H26F4N4.C38H30N4.C36H18N8.C36H26N4.C33H19F3N4S.C22H14F2N4P2/c51-39-19-11-35(12-20-39)47-49(37-15-23-41(53)24-16-37)57-45-29-33(9-27-43(45)55-47)7-5-31-1-2-32(4-3-31)6-8-34-10-28-44-46(30-34)58-50(38-17-25-42(54)26-18-38)48(56-44)36-13-21-40(52)22-14-36;1-23-19-31-33(21-25(23)3)41-37(35(39-31)27-11-7-5-8-12-27)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)40-32-20-24(2)26(4)22-34(32)42-38;1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;1-23-13-19-29-31(21-23)39-35(33(37-29)25-9-5-3-6-10-25)27-15-17-28(18-16-27)36-34(26-11-7-4-8-12-26)38-30-20-14-24(2)22-32(30)40-36;1-18-2-12-24-26(16-18)39-31(20-5-9-22(35)10-6-20)32(38-24)28-14-15-29(41-28)33-30(19-3-7-21(34)8-4-19)37-25-13-11-23(36)17-27(25)40-33;23-13-5-7-15-17(9-13)25-19(21(29)27-15)11-1-2-12(4-3-11)20-22(30)28-16-8-6-14(24)10-18(16)26-20/h1-4,9-30H;5-22H,1-4H3;1-18H;3-22H,1-2H3;2-17H,1H3;1-10H,29-30H2 |
| InChIKey | LEZHSEURQGWMIJ-UHFFFAOYSA-N |
| XLogP | 50.88 |
| TPSA | 360.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 255 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3373.62 |
| LogP ≤ 5 | 50.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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