tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc

C312H230Be4F2N18O9S23Si4Zn4+6 — CID 161333810

About tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc

tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc (PubChem CID 161333810) has the molecular formula C312H230Be4F2N18O9S23Si4Zn4+6 and a molecular weight of 5560.88 g/mol. Its IUPAC name is tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc.

Molecular Properties

• Compound Name: tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc
• PubChem CID: 161333810
• Molecular Formula: C312H230Be4F2N18O9S23Si4Zn4+6
• Molecular Weight: 5560.88 g/mol
• Exact Mass: 5548.83
• IUPAC Name: tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc
• SMILES: C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1[nH+]c2ccccc2s1.[S-]c1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn]
• InChI: InChI=1S/2C31H23NOSSi.2C25H18N2S2.C23H15NOS.C23H15NS2.C19H13NOS.C19H13NS2.2C16H17NS2Si.2C15H13NOS.C14H11NOS.C14H11NS2.2C13H8FNOS.4Be.4Zn/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*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*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*1-9-7-10(2)14(17)11(8-9)15-16-12-5-3-4-6-13(12)18-15;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;;;;;;;;/h2*1-22,33H;2*1-17,28H;2*1-14,25H;2*1-12,21H;2*4-10,18H,1-3H3;2*3-8,17H,1-2H3;2*2-8,16H,1H3;2*1-7,16H;;;;;;;;/q;;;;;;;;;;;;;;;;4*+2;;;2*+2/p-6
• InChIKey: BRFXRERMXSIOCB-UHFFFAOYSA-H
• XLogP: 71.39
• TPSA: 424.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 376
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5560.88
LogP ≤ 5	71.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc?

The IUPAC name of tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc (CID 161333810) is tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc.

What is the SMILES notation for tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc?

The canonical SMILES for tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc is C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1[nH+]c2ccccc2s1.[S-]c1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].

What is the InChIKey of tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc?

The InChIKey is BRFXRERMXSIOCB-UHFFFAOYSA-H. The full InChI is InChI=1S/2C31H23NOSSi.2C25H18N2S2.C23H15NOS.C23H15NS2.C19H13NOS.C19H13NS2.2C16H17NS2Si.2C15H13NOS.C14H11NOS.C14H11NS2.2C13H8FNOS.4Be.4Zn/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*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*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*1-9-7-10(2)14(17)11(8-9)15-16-12-5-3-4-6-13(12)18-15;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;;;;;;;;/h2*1-22,33H;2*1-17,28H;2*1-14,25H;2*1-12,21H;2*4-10,18H,1-3H3;2*3-8,17H,1-2H3;2*2-8,16H,1H3;2*1-7,16H;;;;;;;;/q;;;;;;;;;;;;;;;;4*+2;;;2*+2/p-6.

What are the key properties of tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc?

tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc has a molecular weight of 5560.88 g/mol, XLogP of 71.39, 36 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tetraberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-triphenylsilylphenolate);2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc is sourced from PubChem (CID 161333810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).