C201H220BrCl10F5MoN12O6W5-6 — CID 157161017
4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;pentakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;pentakis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol;2,4,6-triphenylphenol (PubChem CID 157161017) has the molecular formula C201H220BrCl10F5MoN12O6W5-6 and a molecular weight of 4444.61 g/mol. Its IUPAC name is 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;pentakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;pentakis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol;2,4,6-triphenylphenol.
| Compound Name | 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;pentakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;pentakis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol;2,4,6-triphenylphenol |
|---|---|
| PubChem CID | 157161017 |
| Molecular Formula | C201H220BrCl10F5MoN12O6W5-6 |
| Molecular Weight | 4444.61 g/mol |
| Exact Mass | 4438.99 |
| IUPAC Name | 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;pentakis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;pentakis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol;2,4,6-triphenylphenol |
| SMILES | CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1 |
| InChI | InChI=1S/C24H25FO.C24H18O.C18H13BrO.C18H13FO.C15H24O.C12H17N.5C6H3Cl2N.C6H8N.6C5H10.C4H7F3O.5C4H4N.Mo.5W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-8(2)10-6-5-7-11(9(3)4)12(10)13;5*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;6*1-5(2,3)4;1-3(2,8)4(5,6)7;5*1-2-4-5-3-1;;;;;;/h7-12,26H,1-6H3;1-17,25H;2*1-12,20H;8-9,16H,1-7H3;5-9H,1-4H3;5*1-3H;3-4H,1-2H3;6*1H,2-4H3;8H,1-2H3;5*1-4H;;;;;;/q;;;;;;;;;;;-1;;;;;;;;5*-1;;;;;; |
| InChIKey | QLHNYZODATYCEL-UHFFFAOYSA-N |
| XLogP | 62.93 |
| TPSA | 280.14 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 241 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4444.61 |
| LogP ≤ 5 | 62.93 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 12 |