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

C182H129Be2F2N15O12S5Zn4+4 — CID 162274361

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

diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc (PubChem CID 162274361) has the molecular formula C182H129Be2F2N15O12S5Zn4+4 and a molecular weight of 3196.04 g/mol. Its IUPAC name is diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc.

Molecular Properties

• Compound Name: diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc
• PubChem CID: 162274361
• Molecular Formula: C182H129Be2F2N15O12S5Zn4+4
• Molecular Weight: 3196.04 g/mol
• Exact Mass: 3187.59
• IUPAC Name: diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);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-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.[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C19H12FNOS.3C19H14N2O.C15H11NO.3C13H9NOS.C13H9NO.C11H9NO.C9H7NO.2Be.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;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;3*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;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;3*1-13,22H;1-10,17H;3*1-8,15H;1-8,15H;1-8,13H;1-6,11H;;;;;;/q;;;;;;;;;;;;2*+2
• InChIKey: KDLWWBVULYSBBE-UHFFFAOYSA-N
• XLogP: 40.62
• TPSA: 428.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3196.04
LogP ≤ 5	40.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc (CID 162274361) is diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc.

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

The canonical SMILES for diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);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-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.[Zn].[Zn].[Zn].[Zn].

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

The InChIKey is KDLWWBVULYSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12FNOS.3C19H14N2O.C15H11NO.3C13H9NOS.C13H9NO.C11H9NO.C9H7NO.2Be.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;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;3*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;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;3*1-13,22H;1-10,17H;3*1-8,15H;1-8,15H;1-8,13H;1-6,11H;;;;;;/q;;;;;;;;;;;;2*+2;;;;.

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

diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc has a molecular weight of 3196.04 g/mol, XLogP of 40.62, 15 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)phenol);bis(2-(1,3-benzothiazol-2-yl)phenol);2-isoquinolin-1-ylphenol;bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate);2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylphenol;quinolin-8-ol;zinc is sourced from PubChem (CID 162274361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).