C195H129N27 — CID 159718509
5-(2,6-diphenylpyrimidin-4-yl)-10-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine;5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 159718509) has the molecular formula C195H129N27 and a molecular weight of 2850.37 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-10-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine;5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.
| Compound Name | 5-(2,6-diphenylpyrimidin-4-yl)-10-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine;5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
|---|---|
| PubChem CID | 159718509 |
| Molecular Formula | C195H129N27 |
| Molecular Weight | 2850.37 g/mol |
| Exact Mass | 2848.09 |
| IUPAC Name | 5-(2,6-diphenylpyrimidin-4-yl)-10-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine;5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine;5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine |
| SMILES | c1ccc(-c2cc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1 |
| InChI | InChI=1S/3C65H43N9/c1-7-23-44(24-8-1)52-43-55(67-61(66-52)47-29-13-4-14-30-47)50-39-40-56(51(41-50)64-68-53(45-25-9-2-10-26-45)42-54(69-64)46-27-11-3-12-28-46)73-57-35-19-21-37-59(57)74(60-38-22-20-36-58(60)73)65-71-62(48-31-15-5-16-32-48)70-63(72-65)49-33-17-6-18-34-49;1-7-23-44(24-8-1)52-42-53(45-25-9-2-10-26-45)68-64(67-52)50-39-40-56(51(41-50)55-43-54(46-27-11-3-12-28-46)66-61(69-55)47-29-13-4-14-30-47)73-57-35-19-21-37-59(57)74(60-38-22-20-36-58(60)73)65-71-62(48-31-15-5-16-32-48)70-63(72-65)49-33-17-6-18-34-49;1-7-23-44(24-8-1)52-42-53(45-25-9-2-10-26-45)67-64(66-52)50-39-40-55(51(41-50)65-71-62(48-31-15-5-16-32-48)70-63(72-65)49-33-17-6-18-34-49)73-56-35-19-21-37-58(56)74(59-38-22-20-36-57(59)73)60-43-54(46-27-11-3-12-28-46)68-61(69-60)47-29-13-4-14-30-47/h3*1-43H |
| InChIKey | MZSSEYDUPNDBSB-UHFFFAOYSA-N |
| XLogP | 48.12 |
| TPSA | 290.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2850.37 |
| LogP ≤ 5 | 48.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |