C274H178N18 — CID 159175615
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline (PubChem CID 159175615) has the molecular formula C274H178N18 and a molecular weight of 3722.56 g/mol. Its IUPAC name is 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline.
| Compound Name | 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline |
|---|---|
| PubChem CID | 159175615 |
| Molecular Formula | C274H178N18 |
| Molecular Weight | 3722.56 g/mol |
| Exact Mass | 3719.45 |
| IUPAC Name | 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-dinaphthalen-2-yl-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;2-phenyl-6,7-bis(4-phenylphenyl)-3-(4-pyridin-2-ylphenyl)quinoxaline |
| SMILES | c1ccc(-c2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccc(-c6ccccn6)cc5)nc4cc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2nc3cc(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3cc(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)cc3nc2-c2ccc(-c3cccnc3)cc2)cc1.c1ccc(-c2nc3cc(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)cc3nc2-c2ccc(-c3ccncc3)cc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3cccnc3)cc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3ccncc3)cc2)cc1 |
| InChI | InChI=1S/C49H33N3.5C45H29N3/c1-4-12-34(13-5-1)36-19-23-38(24-20-36)43-32-46-47(33-44(43)39-25-21-37(22-26-39)35-14-6-2-7-15-35)52-49(48(51-46)41-16-8-3-9-17-41)42-29-27-40(28-30-42)45-18-10-11-31-50-45;1-2-13-33(14-3-1)44-45(34-24-22-30(23-25-34)35-17-10-26-46-29-35)48-43-28-41(39-21-9-16-32-12-5-7-19-37(32)39)40(27-42(43)47-44)38-20-8-15-31-11-4-6-18-36(31)38;1-2-12-34(13-3-1)44-45(35-22-20-30(21-23-35)31-24-26-46-27-25-31)48-43-29-41(39-19-9-15-33-11-5-7-17-37(33)39)40(28-42(43)47-44)38-18-8-14-32-10-4-6-16-36(32)38;1-2-12-33(13-3-1)44-45(34-21-19-32(20-22-34)41-16-8-9-25-46-41)48-43-29-40(38-24-18-31-11-5-7-15-36(31)27-38)39(28-42(43)47-44)37-23-17-30-10-4-6-14-35(30)26-37;1-2-11-33(12-3-1)44-45(34-20-16-32(17-21-34)39-15-8-24-46-29-39)48-43-28-41(38-23-19-31-10-5-7-14-36(31)26-38)40(27-42(43)47-44)37-22-18-30-9-4-6-13-35(30)25-37;1-2-10-34(11-3-1)44-45(35-18-14-32(15-19-35)33-22-24-46-25-23-33)48-43-29-41(39-21-17-31-9-5-7-13-37(31)27-39)40(28-42(43)47-44)38-20-16-30-8-4-6-12-36(30)26-38/h1-33H;5*1-29H |
| InChIKey | KMFUHABAPGMZDT-UHFFFAOYSA-N |
| XLogP | 71.02 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3722.56 |
| LogP ≤ 5 | 71.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |