C207H157Cl20F10N11O14Zr10 — CID 159541858
decakis(dichlorozirconium);2,4-diphenyl-6-(phenyliminomethyl)phenol;3,6-diphenyl-2-(phenyliminomethyl)phenol;4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;4-methoxy-2-phenyl-6-(phenyliminomethyl)phenol;3-methyl-6-phenyl-2-(phenyliminomethyl)phenol;bis(4-methyl-2-phenyl-6-(phenyliminomethyl)phenol);4-nitro-2-phenyl-6-(phenyliminomethyl)phenol;2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-(phenyliminomethyl)phenol (PubChem CID 159541858) has the molecular formula C207H157Cl20F10N11O14Zr10 and a molecular weight of 4833.88 g/mol. Its IUPAC name is decakis(dichlorozirconium);2,4-diphenyl-6-(phenyliminomethyl)phenol;3,6-diphenyl-2-(phenyliminomethyl)phenol;4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;4-methoxy-2-phenyl-6-(phenyliminomethyl)phenol;3-methyl-6-phenyl-2-(phenyliminomethyl)phenol;bis(4-methyl-2-phenyl-6-(phenyliminomethyl)phenol);4-nitro-2-phenyl-6-(phenyliminomethyl)phenol;2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-(phenyliminomethyl)phenol.
| Compound Name | decakis(dichlorozirconium);2,4-diphenyl-6-(phenyliminomethyl)phenol;3,6-diphenyl-2-(phenyliminomethyl)phenol;4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;4-methoxy-2-phenyl-6-(phenyliminomethyl)phenol;3-methyl-6-phenyl-2-(phenyliminomethyl)phenol;bis(4-methyl-2-phenyl-6-(phenyliminomethyl)phenol);4-nitro-2-phenyl-6-(phenyliminomethyl)phenol;2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-(phenyliminomethyl)phenol |
|---|---|
| PubChem CID | 159541858 |
| Molecular Formula | C207H157Cl20F10N11O14Zr10 |
| Molecular Weight | 4833.88 g/mol |
| Exact Mass | 4808.60 |
| IUPAC Name | decakis(dichlorozirconium);2,4-diphenyl-6-(phenyliminomethyl)phenol;3,6-diphenyl-2-(phenyliminomethyl)phenol;4-methoxy-2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;4-methoxy-2-phenyl-6-(phenyliminomethyl)phenol;3-methyl-6-phenyl-2-(phenyliminomethyl)phenol;bis(4-methyl-2-phenyl-6-(phenyliminomethyl)phenol);4-nitro-2-phenyl-6-(phenyliminomethyl)phenol;2-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-(phenyliminomethyl)phenol |
| SMILES | COc1cc(/C=N/c2c(F)c(F)c(F)c(F)c2F)c(O)c(-c2ccccc2)c1.COc1cc(/C=N/c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(/C=N/c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1cc(/C=N/c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(-c2ccccc2)c(O)c1/C=N/c1ccccc1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.O=[N+]([O-])c1cc(/C=N/c2ccccc2)c(O)c(-c2ccccc2)c1.Oc1c(-c2ccccc2)ccc(-c2ccccc2)c1/C=N/c1ccccc1.Oc1c(/C=N/c2c(F)c(F)c(F)c(F)c2F)cccc1-c1ccccc1.Oc1c(/C=N/c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(/C=N/c2ccccc2)cccc1-c1ccccc1 |
| InChI | InChI=1S/2C25H19NO.C20H12F5NO2.C20H17NO2.3C20H17NO.C19H10F5NO.C19H14N2O3.C19H15NO.20ClH.10Zr/c27-25-22(18-26-23-14-8-3-9-15-23)16-21(19-10-4-1-5-11-19)17-24(25)20-12-6-2-7-13-20;27-25-23(20-12-6-2-7-13-20)17-16-22(19-10-4-1-5-11-19)24(25)18-26-21-14-8-3-9-15-21;1-28-12-7-11(20(27)13(8-12)10-5-3-2-4-6-10)9-26-19-17(24)15(22)14(21)16(23)18(19)25;1-23-18-12-16(14-21-17-10-6-3-7-11-17)20(22)19(13-18)15-8-4-2-5-9-15;2*1-15-12-17(14-21-18-10-6-3-7-11-18)20(22)19(13-15)16-8-4-2-5-9-16;1-15-12-13-18(16-8-4-2-5-9-16)20(22)19(15)14-21-17-10-6-3-7-11-17;20-13-14(21)16(23)18(17(24)15(13)22)25-9-11-7-4-8-12(19(11)26)10-5-2-1-3-6-10;22-19-15(13-20-16-9-5-2-6-10-16)11-17(21(23)24)12-18(19)14-7-3-1-4-8-14;21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-18,27H;2-9,27H,1H3;2-14,22H,1H3;3*2-14,22H,1H3;1-9,26H;1-13,22H;1-14,21H;20*1H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20/b2*26-18+;26-9+;4*21-14+;25-9+;20-13+;20-14+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | XQUJPNPWRJFUTH-IJNVAWRISA-A |
| XLogP | 67.44 |
| TPSA | 387.50 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4833.88 |
| LogP ≤ 5 | 67.44 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |