C256H166N18 — CID 159856241
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline (PubChem CID 159856241) has the molecular formula C256H166N18 and a molecular weight of 3494.27 g/mol. Its IUPAC name is 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline.
| Compound Name | 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline |
|---|---|
| PubChem CID | 159856241 |
| Molecular Formula | C256H166N18 |
| Molecular Weight | 3494.27 g/mol |
| Exact Mass | 3491.35 |
| IUPAC Name | 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline |
| SMILES | c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccccn5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccn5)ccc3-4)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccnc5)ccc3-4)cc2)cc1 |
| InChI | InChI=1S/2C50H31N3.C45H29N3.3C37H25N3/c1-2-12-33(13-3-1)48-49(53-47-20-9-8-19-46(47)52-48)34-23-21-32(22-24-34)35-25-27-39-40-28-26-36(45-18-10-11-29-51-45)31-44(40)50(43(39)30-35)41-16-6-4-14-37(41)38-15-5-7-17-42(38)50;1-2-11-33(12-3-1)48-49(53-47-19-9-8-18-46(47)52-48)34-22-20-32(21-23-34)35-24-26-40-41-27-25-36(37-13-10-28-51-31-37)30-45(41)50(44(40)29-35)42-16-6-4-14-38(42)39-15-5-7-17-43(39)50;1-2-14-33(15-3-1)44-45(34-25-23-32(24-26-34)41-22-8-9-27-46-41)48-43-29-40(38-21-11-17-31-13-5-7-19-36(31)38)39(28-42(43)47-44)37-20-10-16-30-12-4-6-18-35(30)37;1-4-12-26(13-5-1)31-24-34-35(25-32(31)27-14-6-2-7-15-27)40-37(36(39-34)29-16-8-3-9-17-29)30-21-19-28(20-22-30)33-18-10-11-23-38-33;1-4-11-27(12-5-1)32-23-34-35(24-33(32)28-13-6-2-7-14-28)40-37(36(39-34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)31-17-10-22-38-25-31;1-4-10-28(11-5-1)32-24-34-35(25-33(32)29-12-6-2-7-13-29)40-37(36(39-34)30-14-8-3-9-15-30)31-18-16-26(17-19-31)27-20-22-38-23-21-27/h2*1-31H;1-29H;3*1-25H |
| InChIKey | NQOJAHKRNSYVEM-UHFFFAOYSA-N |
| XLogP | 63.82 |
| TPSA | 232.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 274 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3494.27 |
| LogP ≤ 5 | 63.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |