C130H75F12N11 — CID 167055278
3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 167055278) has the molecular formula C130H75F12N11 and a molecular weight of 2019.08 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 167055278 |
| Molecular Formula | C130H75F12N11 |
| Molecular Weight | 2019.08 g/mol |
| Exact Mass | 2017.60 |
| IUPAC Name | 3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole |
| SMILES | FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C(F)(F)F)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C(F)(F)F)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21 |
| InChI | InChI=1S/C130H75F12N11/c131-127(132,133)105-48-22-13-39-87(105)101-68-82(125-145-121(76-31-5-1-6-32-76)143-122(146-125)77-33-7-2-8-34-77)69-102(88-40-14-23-49-106(88)128(134,135)136)119(101)152-114-63-58-80(67-97(114)98-73-84(59-64-115(98)152)149-109-52-26-17-43-91(109)92-44-18-27-53-110(92)149)81-57-62-96-95-47-21-30-56-113(95)151(118(96)72-81)86-61-66-117-100(75-86)99-74-85(150-111-54-28-19-45-93(111)94-46-20-29-55-112(94)150)60-65-116(99)153(117)120-103(89-41-15-24-50-107(89)129(137,138)139)70-83(71-104(120)90-42-16-25-51-108(90)130(140,141)142)126-147-123(78-35-9-3-10-36-78)144-124(148-126)79-37-11-4-12-38-79/h1-75H |
| InChIKey | GRRHJXHTITYDFZ-UHFFFAOYSA-N |
| XLogP | 35.95 |
| TPSA | 101.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2019.08 |
| LogP ≤ 5 | 35.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |