C157H89F21N20O4 — CID 159951318
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 159951318) has the molecular formula C157H89F21N20O4 and a molecular weight of 2718.53 g/mol. Its IUPAC name is 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole.
| Compound Name | 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole |
|---|---|
| PubChem CID | 159951318 |
| Molecular Formula | C157H89F21N20O4 |
| Molecular Weight | 2718.53 g/mol |
| Exact Mass | 2716.70 |
| IUPAC Name | 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole |
| SMILES | FC(F)(F)c1ccc2nc(-c3cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)cc(-c4nc5ccc(C(F)(F)F)cc5nc4-c4ccccc4)c3)c(-c3ccccc3)nc2c1.FC(F)(F)c1cccc(-c2nnc(-c3ccc(C(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)(c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)c4ccc(-c5nnc(-c6cccc(C(F)(F)F)c6)o5)cc4)cc3)o2)c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1 |
| InChI | InChI=1S/C61H32F12N8O4.C51H27F9N6.C45H30N6/c62-58(63,64)45-9-1-5-37(29-45)53-78-74-49(82-53)33-13-21-41(22-14-33)57(42-23-15-34(16-24-42)50-75-79-54(83-50)38-6-2-10-46(30-38)59(65,66)67,43-25-17-35(18-26-43)51-76-80-55(84-51)39-7-3-11-47(31-39)60(68,69)70)44-27-19-36(20-28-44)52-77-81-56(85-52)40-8-4-12-48(32-40)61(71,72)73;52-49(53,54)34-16-19-37-40(25-34)64-43(28-10-4-1-5-11-28)46(61-37)31-22-32(47-44(29-12-6-2-7-13-29)65-41-26-35(50(55,56)57)17-20-38(41)62-47)24-33(23-31)48-45(30-14-8-3-9-15-30)66-42-27-36(51(58,59)60)18-21-39(42)63-48;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-32H;1-27H;1-30H |
| InChIKey | OCDNELVNLUDGOO-UHFFFAOYSA-N |
| XLogP | 42.29 |
| TPSA | 286.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2718.53 |
| LogP ≤ 5 | 42.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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