C328H248BeF2N18O16S15Si4Zn7+2 — CID 160908291
beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4,6-dimethylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol);zinc (PubChem CID 160908291) has the molecular formula C328H248BeF2N18O16S15Si4Zn7+2 and a molecular weight of 5795.79 g/mol. Its IUPAC name is beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4,6-dimethylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol);zinc.
| Compound Name | beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4,6-dimethylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol);zinc |
|---|---|
| PubChem CID | 160908291 |
| Molecular Formula | C328H248BeF2N18O16S15Si4Zn7+2 |
| Molecular Weight | 5795.79 g/mol |
| Exact Mass | 5779.92 |
| IUPAC Name | beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol);bis(2-(1,3-benzothiazol-2-yl)-4,6-dimethylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-fluorophenol);bis(2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)phenol);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylphenol);bis(2-(1,3-benzothiazol-2-yl)-4-triphenylsilylphenol);zinc |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5s4)c3)cc21.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc(O)c(-c2nc3ccccc3s2)c1.Cc1cc(C)c(O)c(-c2nc3ccccc3s2)c1.Cc1cc(C)c(O)c(-c2nc3ccccc3s2)c1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(F)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.Oc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn] |
| InChI | InChI=1S/2C31H23NOSSi.2C28H21NOS.2C25H18N2OS.2C23H15NOS.2C16H17NOSSi.2C15H13NOS.2C13H8FNOS.C13H9NOS.C13H9NO.Be.7Zn/c2*33-29-21-20-26(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;2*1-28(2)22-8-4-3-7-19(22)20-13-11-18(16-23(20)28)17-12-14-25(30)21(15-17)27-29-24-9-5-6-10-26(24)31-27;2*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;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;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*1-9-7-10(2)14(17)11(8-9)15-16-12-5-3-4-6-13(12)18-15;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;;;;;;;;/h2*1-22,33H;2*3-16,30H,1-2H3;2*1-17,28H;2*1-14,25H;2*4-10,18H,1-3H3;2*3-8,17H,1-2H3;2*1-7,16H;1-8,15H;1-8,15H;;;;;;;;/q;;;;;;;;;;;;;;;;+2;;;;;;; |
| InChIKey | NIODKVDRMZJMFY-UHFFFAOYSA-N |
| XLogP | 81.19 |
| TPSA | 544.56 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 391 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5795.79 |
| LogP ≤ 5 | 81.19 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 47 |