C114H80F12N8 — CID 157137734
1,8-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9H-fluorene (PubChem CID 157137734) has the molecular formula C114H80F12N8 and a molecular weight of 1789.93 g/mol. Its IUPAC name is 1,8-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9H-fluorene.
| Compound Name | 1,8-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9H-fluorene |
|---|---|
| PubChem CID | 157137734 |
| Molecular Formula | C114H80F12N8 |
| Molecular Weight | 1789.93 g/mol |
| Exact Mass | 1788.63 |
| IUPAC Name | 1,8-dimethyl-9H-fluorene;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9H-fluorene |
| SMILES | Cc1cccc2c1Cc1c(C)cccc1-2.Cc1cccc2c3cccc(C)c3n(-c3ccc(C(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c12.FC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(F)(F)F.c1ccc2c(c1)Cc1ccccc1-2 |
| InChI | InChI=1S/C44H30F6N4.C42H26F6N4.C15H14.C13H10/c1-27-11-9-17-35-36-18-10-12-28(2)38(36)54(37(27)35)34-25-23-33(24-26-34)42(43(45,46)47,44(48,49)50)32-21-19-31(20-22-32)41-52-39(29-13-5-3-6-14-29)51-40(53-41)30-15-7-4-8-16-30;43-41(44,45)40(42(46,47)48,31-23-25-32(26-24-31)52-35-17-9-7-15-33(35)34-16-8-10-18-36(34)52)30-21-19-29(20-22-30)39-50-37(27-11-3-1-4-12-27)49-38(51-39)28-13-5-2-6-14-28;1-10-5-3-7-12-13-8-4-6-11(2)15(13)9-14(10)12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-26H,1-2H3;1-26H;3-8H,9H2,1-2H3;1-8H,9H2 |
| InChIKey | AJVBMISRJIABBT-UHFFFAOYSA-N |
| XLogP | 30.51 |
| TPSA | 87.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 134 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1789.93 |
| LogP ≤ 5 | 30.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |