dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc

C108H75N10O3S7Zn4- — CID 158007820

About dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc

dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc (PubChem CID 158007820) has the molecular formula C108H75N10O3S7Zn4- and a molecular weight of 2046.88 g/mol. Its IUPAC name is dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc.

Molecular Properties

• Compound Name: dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc
• PubChem CID: 158007820
• Molecular Formula: C108H75N10O3S7Zn4-
• Molecular Weight: 2046.88 g/mol
• Exact Mass: 2039.12
• IUPAC Name: dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc
• SMILES: Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn]
• InChI: InChI=1S/C19H14N2O.C19H14N2S.C13H9NO.2C13H9NS2.2C11H9NS.C9H7NO.4Zn/c2*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;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*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*1-13,22H;1-8,15H;2*1-8,15H;2*1-8,13H;1-6,11H;;;;/q;;;;;;;;;;2*+2/p-5
• InChIKey: FCVDZGLSRYEMNY-UHFFFAOYSA-I
• XLogP: 27.07
• TPSA: 173.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2046.88
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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 dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?

The IUPAC name of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc (CID 158007820) is dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc.

What is the SMILES notation for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?

The canonical SMILES for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc is Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn].[Zn].

What is the InChIKey of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?

The InChIKey is FCVDZGLSRYEMNY-UHFFFAOYSA-I. The full InChI is InChI=1S/C19H14N2O.C19H14N2S.C13H9NO.2C13H9NS2.2C11H9NS.C9H7NO.4Zn/c2*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;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*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*1-13,22H;1-8,15H;2*1-8,15H;2*1-8,13H;1-6,11H;;;;/q;;;;;;;;;;2*+2/p-5.

What are the key properties of dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc?

dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc has a molecular weight of 2046.88 g/mol, XLogP of 27.07, 8 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;benzo[h]quinolin-10-ol;bis(2-(1,3-benzothiazol-2-yl)benzenethiolate);2-(1-phenylbenzimidazol-2-yl)benzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylbenzenethiolate);quinolin-8-ol;zinc is sourced from PubChem (CID 158007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).