C225H140F10N20 — CID 158177755
2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158177755) has the molecular formula C225H140F10N20 and a molecular weight of 3313.71 g/mol. Its IUPAC name is 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158177755 |
| Molecular Formula | C225H140F10N20 |
| Molecular Weight | 3313.71 g/mol |
| Exact Mass | 3311.14 |
| IUPAC Name | 2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | FC1(F)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21.FC1(F)c2ccc(-c3ccccn3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.FC1(F)c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21 |
| InChI | InChI=1S/C59H38F2N2.C45H28F2N4.2C44H27F2N5.C33H20F2N4/c60-59(61)53-31-29-47(40-21-23-42(24-22-40)50-37-56(44-17-9-3-10-18-44)62-57(38-50)45-19-11-4-12-20-45)33-51(53)52-34-48(30-32-54(52)59)41-25-27-46(28-26-41)58-36-49(39-13-5-1-6-14-39)35-55(63-58)43-15-7-2-8-16-43;46-45(47)38-23-21-33(41-28-35(29-13-5-1-6-14-29)27-40(48-41)30-15-7-2-8-16-30)25-36(38)37-26-34(22-24-39(37)45)44-50-42(31-17-9-3-10-18-31)49-43(51-44)32-19-11-4-12-20-32;45-44(46)36-23-21-32(39-27-38(28-13-5-1-6-14-28)47-40(48-39)29-15-7-2-8-16-29)25-34(36)35-26-33(22-24-37(35)44)43-50-41(30-17-9-3-10-18-30)49-42(51-43)31-19-11-4-12-20-31;45-44(46)36-23-21-32(42-47-38(28-13-5-1-6-14-28)27-39(48-42)29-15-7-2-8-16-29)25-34(36)35-26-33(22-24-37(35)44)43-50-40(30-17-9-3-10-18-30)49-41(51-43)31-19-11-4-12-20-31;34-33(35)27-16-14-23(29-13-7-8-18-36-29)19-25(27)26-20-24(15-17-28(26)33)32-38-30(21-9-3-1-4-10-21)37-31(39-32)22-11-5-2-6-12-22/h1-38H;1-28H;2*1-27H;1-20H |
| InChIKey | FYEYUHASDVAWED-UHFFFAOYSA-N |
| XLogP | 56.95 |
| TPSA | 257.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 255 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3313.71 |
| LogP ≤ 5 | 56.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |