triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc

C145H106Be3N8O8S8Zn+6 — CID 162286536

IUPACtriberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc
SMILESCc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[Zn]
InChIInChI=1S/2C19H15NOS.5C18H13NOS.C17H11NOS.3Be.Zn/c2*1-11-9-16-17(10-12(11)2)22-19(20-16)15-8-7-13-5-3-4-6-14(13)18(15)21;3*1-11-6-9-16-15(10-11)19-18(21-16)14-8-7-12-4-2-3-5-13(12)17(14)20;2*1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;;;;/h2*3-10,21H,1-2H3;5*2-10,20H,1H3;1-10,19H;;;;/q;;;;;;;;3*+2;
InChIKeyJEPFUTXKYHDWEN-UHFFFAOYSA-N
MW2437.45 g/mol
LogP32.93
Rot. Bonds8

About triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc

triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc (PubChem CID 162286536) has the molecular formula C145H106Be3N8O8S8Zn+6 and a molecular weight of 2437.45 g/mol. Its IUPAC name is triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc.

Molecular Properties

Compound Nametriberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc
PubChem CID162286536
Molecular FormulaC145H106Be3N8O8S8Zn+6
Molecular Weight2437.45 g/mol
Exact Mass2433.55
IUPAC Nametriberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc
SMILESCc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[Zn]
InChIInChI=1S/2C19H15NOS.5C18H13NOS.C17H11NOS.3Be.Zn/c2*1-11-9-16-17(10-12(11)2)22-19(20-16)15-8-7-13-5-3-4-6-14(13)18(15)21;3*1-11-6-9-16-15(10-11)19-18(21-16)14-8-7-12-4-2-3-5-13(12)17(14)20;2*1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;;;;/h2*3-10,21H,1-2H3;5*2-10,20H,1H3;1-10,19H;;;;/q;;;;;;;;3*+2;
InChIKeyJEPFUTXKYHDWEN-UHFFFAOYSA-N
XLogP32.93
TPSA289.44 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.45
LogP ≤ 532.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc with MolForge

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Related Compounds

tetraberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(3-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-2-ol);2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(5-phenyl-1,3-benzothiazol-2-yl)naphthalen-1-ol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;zinc
CID 162273358
beryllium;2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate
CID 140815310
CID 157051001
CID 157051001
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)
CID 140661110
diberyllium;dizinc;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);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-naphthalen-2-ylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-naphthalen-2-ylphenol;bis(2-(1,3-benzothiazol-2-yl)-4-(N-phenylanilino)benzenethiolate);bis(2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate);zinc
CID 162273440
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-methylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;zinc
CID 162273997
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432

Frequently Asked Questions

What is the IUPAC name of triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc?
The IUPAC name of triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc (CID 162286536) is triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc.
What is the SMILES notation for triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc?
The canonical SMILES for triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc is Cc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1cc2nc(-c3ccc4ccccc4c3O)sc2cc1C.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])sc2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.Cc1ccc2sc(-c3ccc4ccccc4c3[O-])[nH+]c2c1.[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3ccccc3s2)ccc2ccccc12.[Zn].
What is the InChIKey of triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc?
The InChIKey is JEPFUTXKYHDWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15NOS.5C18H13NOS.C17H11NOS.3Be.Zn/c2*1-11-9-16-17(10-12(11)2)22-19(20-16)15-8-7-13-5-3-4-6-14(13)18(15)21;3*1-11-6-9-16-15(10-11)19-18(21-16)14-8-7-12-4-2-3-5-13(12)17(14)20;2*1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;;;;/h2*3-10,21H,1-2H3;5*2-10,20H,1H3;1-10,19H;;;;/q;;;;;;;;3*+2;.
What are the key properties of triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc?
triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc has a molecular weight of 2437.45 g/mol, XLogP of 32.93, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc is sourced from PubChem (CID 162286536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).