diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc

C272H192Be2F2N23O18S13Zn8+3 — CID 162274359

About diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc

diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc (PubChem CID 162274359) has the molecular formula C272H192Be2F2N23O18S13Zn8+3 and a molecular weight of 5066.68 g/mol. Its IUPAC name is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc.

Molecular Properties

• Compound Name: diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc
• PubChem CID: 162274359
• Molecular Formula: C272H192Be2F2N23O18S13Zn8+3
• Molecular Weight: 5066.68 g/mol
• Exact Mass: 5050.57
• IUPAC Name: diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-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-c1ccccn1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccc2ccccc12.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nccs1.[S-]c1ccccc1-c1nccs1.[Zn+2].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C19H12FNOS.3C19H14N2O.C15H11NO.C13H9NO2.5C13H9NOS.C13H9NO.C13H9NS2.2C11H9NO.2C9H7NO.2C9H7NS2.2Be.8Zn/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;3*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;17-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15;6*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;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;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;3*1-13,22H;1-10,17H;6*1-8,15H;1-8,15H;1-8,15H;2*1-8,13H;2*1-6,11H;2*1-6,11H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;2*+2;;;;;;;;+2/p-3
• InChIKey: MCNQTUWQPIJUIG-UHFFFAOYSA-K
• XLogP: 64.85
• TPSA: 645.96 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Rotatable Bonds: 22
• Heavy Atoms: 338
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5066.68
LogP ≤ 5	64.85
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The IUPAC name of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc (CID 162274359) is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc.

What is the SMILES notation for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The canonical SMILES for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-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-c1ccccn1.Oc1ccccc1-c1ccccn1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccc2ccccc12.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[S-]c1ccccc1-c1nc2ccccc2s1.[S-]c1ccccc1-c1nccs1.[S-]c1ccccc1-c1nccs1.[Zn+2].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

The InChIKey is MCNQTUWQPIJUIG-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H12FNOS.3C19H14N2O.C15H11NO.C13H9NO2.5C13H9NOS.C13H9NO.C13H9NS2.2C11H9NO.2C9H7NO.2C9H7NS2.2Be.8Zn/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;3*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;17-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15;6*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;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;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;3*1-13,22H;1-10,17H;6*1-8,15H;1-8,15H;1-8,15H;2*1-8,13H;2*1-6,11H;2*1-6,11H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;2*+2;;;;;;;;+2/p-3.

What are the key properties of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc?

diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc has a molecular weight of 5066.68 g/mol, XLogP of 64.85, 22 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);tetrakis(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-2-yl)phenol;2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;bis(2-pyridin-2-ylphenol);bis(quinolin-8-ol);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc is sourced from PubChem (CID 162274359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).