C260H180N12 — CID 159360093
6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline (PubChem CID 159360093) has the molecular formula C260H180N12 and a molecular weight of 3472.38 g/mol. Its IUPAC name is 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline.
| Compound Name | 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline |
|---|---|
| PubChem CID | 159360093 |
| Molecular Formula | C260H180N12 |
| Molecular Weight | 3472.38 g/mol |
| Exact Mass | 3469.45 |
| IUPAC Name | 6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;6,7-bis(9,9-dimethylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;6,7-bis(9,9-diphenylfluoren-2-yl)-2-phenyl-3-(4-pyridin-4-ylphenyl)quinoxaline |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccc(-c6cccnc6)cc5)nc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccc(-c6ccncc6)cc5)nc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.c1ccc(-c2nc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3nc2-c2ccc(-c3ccncc3)cc2)cc1 |
| InChI | InChI=1S/2C75H49N3.2C55H41N3/c1-6-22-51(23-7-1)72-73(52-39-37-50(38-40-52)69-36-20-21-45-76-69)78-71-49-64(54-42-44-62-60-33-17-19-35-66(60)75(68(62)47-54,57-28-12-4-13-29-57)58-30-14-5-15-31-58)63(48-70(71)77-72)53-41-43-61-59-32-16-18-34-65(59)74(67(61)46-53,55-24-8-2-9-25-55)56-26-10-3-11-27-56;1-6-20-52(21-7-1)72-73(53-36-34-50(35-37-53)51-42-44-76-45-43-51)78-71-49-65(55-39-41-63-61-31-17-19-33-67(61)75(69(63)47-55,58-26-12-4-13-27-58)59-28-14-5-15-29-59)64(48-70(71)77-72)54-38-40-62-60-30-16-18-32-66(60)74(68(62)46-54,56-22-8-2-9-23-56)57-24-10-3-11-25-57;1-54(2)46-18-10-8-16-40(46)42-26-24-37(29-48(42)54)44-31-50-51(32-45(44)38-25-27-43-41-17-9-11-19-47(41)55(3,4)49(43)30-38)58-53(52(57-50)35-13-6-5-7-14-35)36-22-20-34(21-23-36)39-15-12-28-56-33-39;1-54(2)46-16-10-8-14-40(46)42-24-22-38(30-48(42)54)44-32-50-51(33-45(44)39-23-25-43-41-15-9-11-17-47(41)55(3,4)49(43)31-39)58-53(52(57-50)36-12-6-5-7-13-36)37-20-18-34(19-21-37)35-26-28-56-29-27-35/h2*1-49H;2*5-33H,1-4H3 |
| InChIKey | LIKUCMDFDFIIAM-UHFFFAOYSA-N |
| XLogP | 64.12 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 272 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3472.38 |
| LogP ≤ 5 | 64.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |