diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc

C114H75Be2F2N8O7S7Zn2+3 — CID 157277191

About diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc

diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc (PubChem CID 157277191) has the molecular formula C114H75Be2F2N8O7S7Zn2+3 and a molecular weight of 2080.17 g/mol. Its IUPAC name is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc.

Molecular Properties

• Compound Name: diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc
• PubChem CID: 157277191
• Molecular Formula: C114H75Be2F2N8O7S7Zn2+3
• Molecular Weight: 2080.17 g/mol
• Exact Mass: 2075.26
• IUPAC Name: diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc
• SMILES: Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[Zn+2].[Zn]
• InChI: InChI=1S/C19H13NOS.C19H13NS2.2C13H8FNOS.C13H9NO2.C13H9NOS.C13H9NO.C11H9NS.2Be.2Zn/c2*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*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;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;;;;/h2*1-12,21H;2*1-7,16H;1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;/q;;;;;;;;2*+2;;+2/p-3
• InChIKey: VYTPDMFMBHSXOU-UHFFFAOYSA-K
• XLogP: 25.22
• TPSA: 246.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.17
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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'}

Frequently Asked Questions

What is the IUPAC name of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc?

The IUPAC name of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc (CID 157277191) is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc.

What is the SMILES notation for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc?

The canonical SMILES for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc is Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[Zn+2].[Zn].

What is the InChIKey of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc?

The InChIKey is VYTPDMFMBHSXOU-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H13NOS.C19H13NS2.2C13H8FNOS.C13H9NO2.C13H9NOS.C13H9NO.C11H9NS.2Be.2Zn/c2*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*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;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;;;;/h2*1-12,21H;2*1-7,16H;1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;/q;;;;;;;;2*+2;;+2/p-3.

What are the key properties of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc?

diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc has a molecular weight of 2080.17 g/mol, XLogP of 25.22, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;zinc is sourced from PubChem (CID 157277191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).