zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc

C128H88F2N10O9S8Zn5 — CID 157075202

About zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc

zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc (PubChem CID 157075202) has the molecular formula C128H88F2N10O9S8Zn5 and a molecular weight of 2531.65 g/mol. Its IUPAC name is zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc.

Molecular Properties

• Compound Name: zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc
• PubChem CID: 157075202
• Molecular Formula: C128H88F2N10O9S8Zn5
• Molecular Weight: 2531.65 g/mol
• Exact Mass: 2522.09
• IUPAC Name: zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc
• SMILES: Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccc2ccccc12.[S-]c1ccccc1-c1nccs1.[S-]c1ccccc1-c1nccs1.[Zn+2].[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C19H12FNOS.C15H11NO.C13H9NO2.2C13H9NOS.2C9H7NO.2C9H7NS2.5Zn/c2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;17-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15;3*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;;;;;/h2*1-11,22H;1-10,17H;3*1-8,15H;2*1-6,11H;2*1-6,11H;;;;;/q;;;;;;;;;;;;;;+2/p-2
• InChIKey: RIDYRFYABBQIQN-UHFFFAOYSA-L
• XLogP: 34.40
• TPSA: 303.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2531.65
LogP ≤ 5	34.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The IUPAC name of zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc (CID 157075202) is zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc.

What is the SMILES notation for zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The canonical SMILES for zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc is Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccc2ccccc12.[S-]c1ccccc1-c1nccs1.[S-]c1ccccc1-c1nccs1.[Zn+2].[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The InChIKey is RIDYRFYABBQIQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H12FNOS.C15H11NO.C13H9NO2.2C13H9NOS.2C9H7NO.2C9H7NS2.5Zn/c2*20-14-8-5-12(6-9-14)13-7-10-17(22)15(11-13)19-21-16-3-1-2-4-18(16)23-19;17-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15;3*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;;;;;/h2*1-11,22H;1-10,17H;3*1-8,15H;2*1-6,11H;2*1-6,11H;;;;;/q;;;;;;;;;;;;;;+2/p-2.

What are the key properties of zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc has a molecular weight of 2531.65 g/mol, XLogP of 34.40, 10 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc is sourced from PubChem (CID 157075202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).