C146H92F6N12 — CID 138554385
5-[2-[5-[4-[3-[5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 138554385) has the molecular formula C146H92F6N12 and a molecular weight of 2128.41 g/mol. Its IUPAC name is 5-[2-[5-[4-[3-[5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole.
| Compound Name | 5-[2-[5-[4-[3-[5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 138554385 |
| Molecular Formula | C146H92F6N12 |
| Molecular Weight | 2128.41 g/mol |
| Exact Mass | 2126.75 |
| IUPAC Name | 5-[2-[5-[4-[3-[5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-12-phenylindolo[3,2-c]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1cc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c(-c6cc(C(F)(F)F)ccc6-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c5)n4)c2)ccc1C3(C)C |
| InChI | InChI=1S/C146H92F6N12/c1-143(2)113-54-27-20-47-97(113)100-66-75-125-129(133(100)143)104-50-23-30-57-117(104)161(125)121-71-62-91(141-155-137(85-35-10-5-11-36-85)153-138(156-141)86-37-12-6-13-38-86)81-109(121)111-83-93(145(147,148)149)64-73-123(111)162-118-58-31-24-51-105(118)130-126(162)76-67-101-108-80-89(61-70-114(108)144(3,4)134(101)130)88-41-34-42-90(79-88)140-154-139(87-39-14-7-15-40-87)157-142(158-140)92-63-72-122(163-119-59-32-25-52-106(119)131-127(163)77-68-102-98-48-21-28-55-115(98)159(135(102)131)95-43-16-8-17-44-95)110(82-92)112-84-94(146(150,151)152)65-74-124(112)164-120-60-33-26-53-107(120)132-128(164)78-69-103-99-49-22-29-56-116(99)160(136(103)132)96-45-18-9-19-46-96/h5-84H,1-4H3 |
| InChIKey | PUANBQAEUUEYEI-UHFFFAOYSA-N |
| XLogP | 38.29 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2128.41 |
| LogP ≤ 5 | 38.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |