triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc

C240H173Be3F2N17O12S17Si2Zn5+4 — CID 158582734

IUPACtriberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;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.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.[Be+2].[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc2ccccc2c1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn]
InChIInChI=1S/C19H14N2O.C19H13NOS.C19H13NS2.C17H11NOS.C17H11NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.2C13H8FNOS.2C13H9NO2.C13H9NOS.C13H9NO.C11H9NS.3Be.5Zn/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;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;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;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;;;;;;;;/h1-13,22H;2*1-12,21H;2*1-10,19H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;2*1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;;;;;/q;;;;;;;;;;;;;;;;3*+2;;;;2*+2/p-6
InChIKeyPZDNVWRTBUYLAM-UHFFFAOYSA-H
MW4480.42 g/mol
LogP57.46
Rot. Bonds20

About triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc

triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc (PubChem CID 158582734) has the molecular formula C240H173Be3F2N17O12S17Si2Zn5+4 and a molecular weight of 4480.42 g/mol. Its IUPAC name is triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc.

Molecular Properties

Compound Nametriberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc
PubChem CID158582734
Molecular FormulaC240H173Be3F2N17O12S17Si2Zn5+4
Molecular Weight4480.42 g/mol
Exact Mass4468.50
IUPAC Nametriberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;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.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.[Be+2].[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc2ccccc2c1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn]
InChIInChI=1S/C19H14N2O.C19H13NOS.C19H13NS2.C17H11NOS.C17H11NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.2C13H8FNOS.2C13H9NO2.C13H9NOS.C13H9NO.C11H9NS.3Be.5Zn/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;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;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;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;;;;;;;;/h1-13,22H;2*1-12,21H;2*1-10,19H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;2*1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;;;;;/q;;;;;;;;;;;;;;;;3*+2;;;;2*+2/p-6
InChIKeyPZDNVWRTBUYLAM-UHFFFAOYSA-H
XLogP57.46
TPSA454.31 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004480.42
LogP ≤ 557.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
Beryllium;dizinc;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-isoquinolin-1-ylbenzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;quinolin-1-ium-8-olate;ZINC
CID 157094102
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
CID 157249715
Diberyllium;ZINC;benzo[h]quinolin-1-ium-10-olate;bis(2-(1,3-benzothiazol-3-ium-2-yl)-4-fluorophenolate);2-(1,3-benzothiazol-2-yl)-4-phenylbenzenethiolate;2-(1,3-benzothiazol-2-yl)-4-phenylphenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-pyridin-2-ylbenzenethiolate;ZINC
CID 157277191
2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
CID 157312289
Diberyllium;bis(1-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate);bis(1-(1,3-benzothiazol-2-yl)naphthalen-2-ol);tris(2-(1,3-benzothiazol-2-yl)phenol);2-(1,3-benzoxazol-3-ium-2-yl)phenolate;tetrakis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate;2-pyridin-2-ylphenol;bis(2-(1,3-thiazol-2-yl)phenol);ZINC
CID 157336382
Hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
CID 157340638

Frequently Asked Questions

What is the IUPAC name of triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?
The IUPAC name of triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc (CID 158582734) is triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc.
What is the SMILES notation for triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?
The canonical SMILES for triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;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.Oc1ccc2ccccc2c1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2o1.[Be+2].[Be+2].[Be+2].[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1ccc(F)cc1-c1[nH+]c2ccccc2s1.[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[S-]c1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[S-]c1ccc2ccccc2c1-c1nc2ccccc2s1.[S-]c1ccccc1-c1ccccn1.[S-]c1ccccc1-c1nc2ccccc2o1.[Zn+2].[Zn+2].[Zn].[Zn].[Zn].
What is the InChIKey of triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?
The InChIKey is PZDNVWRTBUYLAM-UHFFFAOYSA-H. The full InChI is InChI=1S/C19H14N2O.C19H13NOS.C19H13NS2.C17H11NOS.C17H11NS2.2C16H17NS2Si.C14H11NOS.C14H11NS2.2C13H8FNOS.2C13H9NO2.C13H9NOS.C13H9NO.C11H9NS.3Be.5Zn/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-11-10-14(13-6-2-1-3-7-13)12-15(17)19-20-16-8-4-5-9-18(16)22-19;2*19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17;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;2*14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;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;;;;;;;;/h1-13,22H;2*1-12,21H;2*1-10,19H;2*4-10,18H,1-3H3;2*2-8,16H,1H3;2*1-7,16H;2*1-8,15H;1-8,16H;1-8,15H;1-8,13H;;;;;;;;/q;;;;;;;;;;;;;;;;3*+2;;;;2*+2/p-6.
What are the key properties of triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc?
triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc has a molecular weight of 4480.42 g/mol, XLogP of 57.46, 20 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for triberyllium;dizinc;benzo[h]quinolin-1-ium-10-olate;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;1-(1,3-benzothiazol-2-yl)naphthalene-2-thiolate;1-(1,3-benzothiazol-2-yl)naphthalen-2-ol;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;2-(1,3-benzoxazol-2-yl)benzenethiolate;2-(1,3-benzoxazol-2-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-pyridin-2-ylbenzenethiolate;zinc is sourced from PubChem (CID 158582734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).