C220H128F24N8 — CID 158178481
9-[3-(2,7-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-9-[3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]carbazole (PubChem CID 158178481) has the molecular formula C220H128F24N8 and a molecular weight of 3339.45 g/mol. Its IUPAC name is 9-[3-(2,7-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-9-[3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]carbazole.
| Compound Name | 9-[3-(2,7-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-9-[3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 158178481 |
| Molecular Formula | C220H128F24N8 |
| Molecular Weight | 3339.45 g/mol |
| Exact Mass | 3336.99 |
| IUPAC Name | 9-[3-(2,7-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-9-[3-(2-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)phenyl]carbazole |
| SMILES | Fc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2)cc(F)c1F.Fc1cc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc(F)c1F.Fc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc(F)c1F.Fc1cc(F)c(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c(F)c1 |
| InChI | InChI=1S/2C61H36F6N2.2C49H28F6N2/c62-51-29-45(30-52(63)60(51)64)46-35-57(68-53-31-41(37-13-5-1-6-14-37)21-25-47(53)48-26-22-42(32-54(48)68)38-15-7-2-8-16-38)59(61(65,66)67)58(36-46)69-55-33-43(39-17-9-3-10-18-39)23-27-49(55)50-28-24-44(34-56(50)69)40-19-11-4-12-20-40;62-51-33-45(34-52(63)60(51)64)46-35-57(68-53-25-21-41(37-13-5-1-6-14-37)29-47(53)48-30-42(22-26-54(48)68)38-15-7-2-8-16-38)59(61(65,66)67)58(36-46)69-55-27-23-43(39-17-9-3-10-18-39)31-49(55)50-32-44(24-28-56(50)69)40-19-11-4-12-20-40;50-34-27-39(51)47(40(52)28-34)33-25-45(56-41-17-9-7-15-35(41)37-21-19-31(23-43(37)56)29-11-3-1-4-12-29)48(49(53,54)55)46(26-33)57-42-18-10-8-16-36(42)38-22-20-32(24-44(38)57)30-13-5-2-6-14-30;50-39-25-33(26-40(51)48(39)52)34-27-45(56-41-17-9-7-15-35(41)37-23-31(19-21-43(37)56)29-11-3-1-4-12-29)47(49(53,54)55)46(28-34)57-42-18-10-8-16-36(42)38-24-32(20-22-44(38)57)30-13-5-2-6-14-30/h2*1-36H;2*1-28H |
| InChIKey | FYHBGOXKDFYWBL-UHFFFAOYSA-N |
| XLogP | 63.94 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 252 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3339.45 |
| LogP ≤ 5 | 63.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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