diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc

C276H190Be2F2N19O10S15Si2Zn6+3 — CID 162273936

About diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc

diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc (PubChem CID 162273936) has the molecular formula C276H190Be2F2N19O10S15Si2Zn6+3 and a molecular weight of 4918.22 g/mol. Its IUPAC name is diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc.

Molecular Properties

• Compound Name: diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc
• PubChem CID: 162273936
• Molecular Formula: C276H190Be2F2N19O10S15Si2Zn6+3
• Molecular Weight: 4918.22 g/mol
• Exact Mass: 4904.62
• IUPAC Name: diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc
• SMILES: Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[S-]c1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn+2].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C31H23NS2Si.2C19H12FNS2.2C19H14N2O.C19H14N2S.2C19H13NOS.C13H9NO2.C13H9NOS.C13H9NO.C13H9NS2.C11H9NS.2C9H7NO.2Be.6Zn/c2*33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;2*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;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;2*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;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;;;;;;;;/h2*1-22,33H;2*1-11,22H;3*1-13,22H;2*1-12,21H;2*1-8,15H;1-8,15H;1-8,15H;1-8,13H;2*1-6,11H;;;;;;;;/q;;;;;;;;;;;;;;;;2*+2;;;;3*+2/p-7
• InChIKey: LHLZSCJDJAAOSR-UHFFFAOYSA-G
• XLogP: 60.65
• TPSA: 432.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4918.22
LogP ≤ 5	60.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc?

The IUPAC name of diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc (CID 162273936) is diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc.

What is the SMILES notation for diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc?

The canonical SMILES for diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc is Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Fc1ccc(-c2ccc([S-])c(-c3nc4ccccc4s3)c2)cc1.Oc1cccc2ccc3cccnc3c12.Oc1cccc2cccnc12.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[S-]c1ccccc1-c1nc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2s1.[S-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.[S-]c1ccccc1-c1nc2ccccc2s1.[Zn+2].[Zn+2].[Zn+2].[Zn].[Zn].[Zn].

What is the InChIKey of diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc?

The InChIKey is LHLZSCJDJAAOSR-UHFFFAOYSA-G. The full InChI is InChI=1S/2C31H23NS2Si.2C19H12FNS2.2C19H14N2O.C19H14N2S.2C19H13NOS.C13H9NO2.C13H9NOS.C13H9NO.C13H9NS2.C11H9NS.2C9H7NO.2Be.6Zn/c2*33-29-19-11-10-18-27(29)31-32-28-21-20-26(22-30(28)34-31)35(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;2*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;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;2*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;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;;;;;;;;/h2*1-22,33H;2*1-11,22H;3*1-13,22H;2*1-12,21H;2*1-8,15H;1-8,15H;1-8,15H;1-8,13H;2*1-6,11H;;;;;;;;/q;;;;;;;;;;;;;;;;2*+2;;;;3*+2/p-7.

What are the key properties of diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc?

diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc has a molecular weight of 4918.22 g/mol, XLogP of 60.65, 28 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;trizinc;benzo[h]quinolin-10-ol;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-2-yl)benzenethiolate;bis(2-(1-phenylbenzimidazol-2-yl)phenol);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);2-pyridin-2-ylbenzenethiolate;quinolin-1-ium-8-olate;quinolin-8-ol;bis(2-(6-triphenylsilyl-1,3-benzothiazol-2-yl)benzenethiolate);zinc is sourced from PubChem (CID 162273936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).