C302H226BeF2N18O17S14Si4Zn7+2 — CID 158493697
beryllium;aniline;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-2-yl)-4-diphenylsilylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol;tris(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc (PubChem CID 158493697) has the molecular formula C302H226BeF2N18O17S14Si4Zn7+2 and a molecular weight of 5445.26 g/mol. Its IUPAC name is beryllium;aniline;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-2-yl)-4-diphenylsilylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol;tris(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc.
| Compound Name | beryllium;aniline;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-2-yl)-4-diphenylsilylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol;tris(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc |
|---|---|
| PubChem CID | 158493697 |
| Molecular Formula | C302H226BeF2N18O17S14Si4Zn7+2 |
| Molecular Weight | 5445.26 g/mol |
| Exact Mass | 5429.77 |
| IUPAC Name | beryllium;aniline;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-2-yl)-4-diphenylsilylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-methylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol;tris(2-(1,3-benzothiazol-2-yl)-4-phenylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc |
| SMILES | C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1ccc(O)c(-c2nc3ccccc3s2)c1.Nc1ccccc1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc([SiH](c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn] |
| InChI | InChI=1S/C31H23NOSSi.C25H18N2OS.C25H19NOSSi.2C23H15NOS.3C19H13NOS.2C16H17NOSSi.2C14H11NOS.2C13H8FNOS.C13H9NO2.C13H9NO.C6H7N.Be.7Zn/c33-29-21-20-26(22-27(29)31-32-28-18-10-11-19-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;28-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)29-25)27(18-9-3-1-4-10-18)19-11-5-2-6-12-19;27-23-16-15-20(17-21(23)25-26-22-13-7-8-14-24(22)28-25)29(18-9-3-1-4-10-18)19-11-5-2-6-12-19;2*25-21-12-11-18(17-10-9-15-5-1-2-6-16(15)13-17)14-19(21)23-24-20-7-3-4-8-22(20)26-23;3*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;7-6-4-2-1-3-5-6;;;;;;;;/h1-22,33H;1-17,28H;1-17,27,29H;2*1-14,25H;3*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;1-8,15H;1-8,15H;1-5H,7H2;;;;;;;;/q;;;;;;;;;;;;;;;;;+2;;;;;;; |
| InChIKey | WVHJZYGOWFXFQQ-UHFFFAOYSA-N |
| XLogP | 73.83 |
| TPSA | 580.48 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 365 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5445.26 |
| LogP ≤ 5 | 73.83 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 47 |