C229H263BrCl6F8MoN12O6W5-6 — CID 158080724
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);pentakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (PubChem CID 158080724) has the molecular formula C229H263BrCl6F8MoN12O6W5-6 and a molecular weight of 4739.45 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);pentakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.
| Compound Name | 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);pentakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol |
|---|---|
| PubChem CID | 158080724 |
| Molecular Formula | C229H263BrCl6F8MoN12O6W5-6 |
| Molecular Weight | 4739.45 g/mol |
| Exact Mass | 4735.45 |
| IUPAC Name | 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);pentakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-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=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1 |
| InChI | InChI=1S/2C24H25FO.C24H18O.C18H13BrO.2C12H17N.C10H15N.C10H12.2C9H9F3O.3C6H3Cl2N.5C6H8N.5C5H10.C4H4N.Mo.5W/c2*1-13-7-15(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;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;3*7-4-2-1-3-5(8)6(4)9;5*1-5-3-4-6(2)7-5;5*1-5(2,3)4;1-2-4-5-3-1;;;;;;/h2*7-12,26H,1-6H3;1-17,25H;1-12,20H;2*5-9H,1-4H3;7-9H,1-6H2;1,4-8H,2-3H3;2*2-6,13H,1H3;3*1-3H;5*3-4H,1-2H3;5*1H,2-4H3;1-4H;;;;;;/q;;;;;;;;;;;;;5*-1;;;;;;-1;;;;;; |
| InChIKey | OXQXOHMHAOSPSA-UHFFFAOYSA-N |
| XLogP | 67.75 |
| TPSA | 280.14 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4739.45 |
| LogP ≤ 5 | 67.75 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 12 |