bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc

C122H86F2N10O8S4Zn4 — CID 158354217

About bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc

bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc (PubChem CID 158354217) has the molecular formula C122H86F2N10O8S4Zn4 and a molecular weight of 2247.92 g/mol. Its IUPAC name is bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc.

Molecular Properties

• Compound Name: bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc
• PubChem CID: 158354217
• Molecular Formula: C122H86F2N10O8S4Zn4
• Molecular Weight: 2247.92 g/mol
• Exact Mass: 2240.26
• IUPAC Name: bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc
• SMILES: Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1cccc2cccnc12.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C19H12FNOS.2C19H14N2O.2C13H9NOS.C11H9NO.C9H7NO.4Zn/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;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h2*1-11,22H;2*1-13,22H;2*1-8,15H;1-8,13H;1-6,11H
• InChIKey: XKAGHMADPYSHQY-UHFFFAOYSA-N
• XLogP: 31.47
• TPSA: 274.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.92
LogP ≤ 5	31.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc (CID 158354217) is bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc.

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

The canonical SMILES for bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc is Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1ccc(-c2ccc(F)cc2)cc1-c1nc2ccccc2s1.Oc1cccc2cccnc12.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].

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

The InChIKey is XKAGHMADPYSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12FNOS.2C19H14N2O.2C13H9NOS.C11H9NO.C9H7NO.4Zn/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;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h2*1-11,22H;2*1-13,22H;2*1-8,15H;1-8,13H;1-6,11H;;;;.

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

bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc has a molecular weight of 2247.92 g/mol, XLogP of 31.47, 11 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1-phenylbenzimidazol-2-yl)phenol);2-pyridin-2-ylphenol;quinolin-8-ol;zinc is sourced from PubChem (CID 158354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).