C247H322BrCl6Mo4N14O8SiW3-7 — CID 159246897
4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol (PubChem CID 159246897) has the molecular formula C247H322BrCl6Mo4N14O8SiW3-7 and a molecular weight of 4871.37 g/mol. Its IUPAC name is 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol.
| Compound Name | 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol |
|---|---|
| PubChem CID | 159246897 |
| Molecular Formula | C247H322BrCl6Mo4N14O8SiW3-7 |
| Molecular Weight | 4871.37 g/mol |
| Exact Mass | 4872.71 |
| IUPAC Name | 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol |
| 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)c1cc(Br)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C)[n-]1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1 |
| InChI | InChI=1S/C18H16OSi.2C18H14O.C18H30O.C15H24O2.C15H24O.C14H21BrO.4C12H17N.3C6H3Cl2N.C6H8N.7C5H10.6C4H4N.4Mo.3W/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;7*1-5(2,3)4;6*1-2-4-5-3-1;;;;;;;/h1-15,19H;2*1-13,19H;10-11,19H,1-9H3;8-9,16H,1-7H3;8-9,16H,1-7H3;7-8,16H,1-6H3;4*5-9H,1-4H3;3*1-3H;3-4H,1-2H3;7*1H,2-4H3;6*1-4H;;;;;;;/q;;;;;;;;;;;;;;-1;;;;;;;;6*-1;;;;;;; |
| InChIKey | GMXUUYSHSPQCHE-UHFFFAOYSA-N |
| XLogP | 71.48 |
| TPSA | 336.06 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 284 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4871.37 |
| LogP ≤ 5 | 71.48 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 15 |