C205H135F2N27 — CID 167677535
5-(4,6-diphenylpyrimidin-2-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;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;2-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167677535) has the molecular formula C205H135F2N27 and a molecular weight of 3014.52 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-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;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;2-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 5-(4,6-diphenylpyrimidin-2-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;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;2-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 167677535 |
| Molecular Formula | C205H135F2N27 |
| Molecular Weight | 3014.52 g/mol |
| Exact Mass | 3012.14 |
| IUPAC Name | 5-(4,6-diphenylpyrimidin-2-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;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenylpyrimidine;2-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | Fc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)cc(-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/2C65H43N9.C38H25FN4.C37H24FN5/c1-7-23-44(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)67-63(66-52)50-39-40-56(51(41-50)64-71-61(48-31-15-5-16-32-48)70-62(72-64)49-33-17-6-18-34-49)73-57-35-19-21-37-59(57)74(60-38-22-20-36-58(60)73)65-68-54(46-27-11-3-12-28-46)43-55(69-65)47-29-13-4-14-30-47;39-32-22-21-30(38-41-33(26-13-5-1-6-14-26)24-34(42-38)27-15-7-2-8-16-27)23-31(32)36-25-35(28-17-9-3-10-18-28)40-37(43-36)29-19-11-4-12-20-29;38-31-22-21-29(36-39-32(25-13-5-1-6-14-25)24-33(40-36)26-15-7-2-8-16-26)23-30(31)37-42-34(27-17-9-3-10-18-27)41-35(43-37)28-19-11-4-12-20-28/h2*1-43H;1-25H;1-24H |
| InChIKey | VARJSGCXZYCUDP-UHFFFAOYSA-N |
| XLogP | 50.29 |
| TPSA | 309.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3014.52 |
| LogP ≤ 5 | 50.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |