diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc

C124H97Be2N8O5S10Si2Zn2+3 — CID 158026046

IUPACdiberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
SMILESC[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn]
InChIInChI=1S/C19H13NOS.C19H13NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.C13H9NO2.C13H9NO.2Be.2Zn/c2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;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;;;;/h2*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;1-8,15H;1-8,15H;;;;/q;;;;;;;;2*+2;;+2/p-3
InChIKeyUSELTODZNNBGPB-UHFFFAOYSA-K
MW2304.84 g/mol
LogP29.16
Rot. Bonds11

About diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc

diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc (PubChem CID 158026046) has the molecular formula C124H97Be2N8O5S10Si2Zn2+3 and a molecular weight of 2304.84 g/mol. Its IUPAC name is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc.

Molecular Properties

Compound Namediberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
PubChem CID158026046
Molecular FormulaC124H97Be2N8O5S10Si2Zn2+3
Molecular Weight2304.84 g/mol
Exact Mass2299.31
IUPAC Namediberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
SMILESC[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn]
InChIInChI=1S/C19H13NOS.C19H13NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.C13H9NO2.C13H9NO.2Be.2Zn/c2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;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;;;;/h2*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;1-8,15H;1-8,15H;;;;/q;;;;;;;;2*+2;;+2/p-3
InChIKeyUSELTODZNNBGPB-UHFFFAOYSA-K
XLogP29.16
TPSA210.67 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.84
LogP ≤ 529.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

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'}

Analyze diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc with MolForge

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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)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?
The IUPAC name of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc (CID 158026046) is diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc.
What is the SMILES notation for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?
The canonical SMILES for diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc is C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.C[Si](C)(C)c1ccc([S-])c(-c2nc3ccccc3s2)c1.Cc1ccc([O-])c(-c2[nH+]c3ccccc3s2)c1.Cc1ccc([S-])c(-c2[nH+]c3ccccc3s2)c1.Oc1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Be+2].[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[Zn+2].[Zn].
What is the InChIKey of diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?
The InChIKey is USELTODZNNBGPB-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H13NOS.C19H13NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.C13H9NO2.C13H9NO.2Be.2Zn/c2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*1-20(2,3)11-8-9-14(18)12(10-11)16-17-13-6-4-5-7-15(13)19-16;2*1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14;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;;;;/h2*1-12,21H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;1-8,15H;1-8,15H;;;;/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)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc?
diberyllium;zinc;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc has a molecular weight of 2304.84 g/mol, XLogP of 29.16, 11 rotatable bonds, 1 hydrogen bond donors, and 19 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)-4-methylbenzenethiolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-methylphenolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc is sourced from PubChem (CID 158026046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).