triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc

C164H119Be3N8O5S10Si2Zn+5 — CID 157062332

About triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc

triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc (PubChem CID 157062332) has the molecular formula C164H119Be3N8O5S10Si2Zn+5 and a molecular weight of 2751.07 g/mol. Its IUPAC name is triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc.

Molecular Properties

• Compound Name: triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc
• PubChem CID: 157062332
• Molecular Formula: C164H119Be3N8O5S10Si2Zn+5
• Molecular Weight: 2751.07 g/mol
• Exact Mass: 2746.57
• IUPAC Name: triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc
• SMILES: Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[Be+2].[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-]c1cccc2ccc3ccc[nH+]c3c12.[S-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn]
• InChI: InChI=1S/2C31H23NOSSi.C23H15NOS.C23H15NS2.2C15H13NOS.C13H9NS2.C13H9NS.3Be.Zn/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*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*1-9-7-10(2)14(17)11(8-9)15-16-12-5-3-4-6-13(12)18-15;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*1-14,25H;2*3-8,17H,1-2H3;1-8,15H;1-8,15H;;;;/q;;;;;;;;3*+2;/p-1
• InChIKey: UWNPCUMMDQSEEF-UHFFFAOYSA-M
• XLogP: 31.85
• TPSA: 223.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2751.07
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc?

The IUPAC name of triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc (CID 157062332) is triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc.

What is the SMILES notation for triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc?

The canonical SMILES for triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc is Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1cc(C)c([O-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccc3ccccc3c2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[Be+2].[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-]c1cccc2ccc3ccc[nH+]c3c12.[S-]c1ccccc1-c1[nH+]c2ccccc2s1.[Zn].

What is the InChIKey of triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc?

The InChIKey is UWNPCUMMDQSEEF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C31H23NOSSi.C23H15NOS.C23H15NS2.2C15H13NOS.C13H9NS2.C13H9NS.3Be.Zn/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*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*1-9-7-10(2)14(17)11(8-9)15-16-12-5-3-4-6-13(12)18-15;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*1-14,25H;2*3-8,17H,1-2H3;1-8,15H;1-8,15H;;;;/q;;;;;;;;3*+2;/p-1.

What are the key properties of triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc?

triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc has a molecular weight of 2751.07 g/mol, XLogP of 31.85, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for triberyllium;benzo[h]quinolin-1-ium-10-thiolate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4,6-dimethylphenolate);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;zinc is sourced from PubChem (CID 157062332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).