5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride

C127H114AsCl2F6I5N2O19S4 — CID 160622066

IUPAC5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride
SMILESC.CCOc1ccc(SOO[O-])c2ccccc12.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.F[As](F)(F)(F)F.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.[F-].[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1
InChIInChI=1S/C16H18I.C16H13NO3S.C16H14O5S.2C14H14I.C14H12O5S.C12H8Cl2I.C12H9INO2.C12H12O4S.CH4.AsF5.FH/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-2-14-11-7-8-12(17-16-15-13)10-6-4-3-5-9(10)11;;2-1(3,4,5)6;/h5-10H,1-4H3;1-11,17-18H;3-9,17H,1-2H3;2*3-10H,1-2H3;2-9H,1H3,(H,16,17,18);1-8H;1-9H;3-8,13H,2H2,1H3;1H4;;1H/q+1;;;2*+1;;2*+1;;;;/p-5
InChIKeyRGVHTGXMVSILDS-UHFFFAOYSA-I
MW2994.91 g/mol
LogP13.47
Rot. Bonds30

About 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride

5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride (PubChem CID 160622066) has the molecular formula C127H114AsCl2F6I5N2O19S4 and a molecular weight of 2994.91 g/mol. Its IUPAC name is 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride.

Molecular Properties

Compound Name5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride
PubChem CID160622066
Molecular FormulaC127H114AsCl2F6I5N2O19S4
Molecular Weight2994.91 g/mol
Exact Mass2992.06
IUPAC Name5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride
SMILESC.CCOc1ccc(SOO[O-])c2ccccc12.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.F[As](F)(F)(F)F.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.[F-].[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1
InChIInChI=1S/C16H18I.C16H13NO3S.C16H14O5S.2C14H14I.C14H12O5S.C12H8Cl2I.C12H9INO2.C12H12O4S.CH4.AsF5.FH/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-2-14-11-7-8-12(17-16-15-13)10-6-4-3-5-9(10)11;;2-1(3,4,5)6;/h5-10H,1-4H3;1-11,17-18H;3-9,17H,1-2H3;2*3-10H,1-2H3;2-9H,1H3,(H,16,17,18);1-8H;1-9H;3-8,13H,2H2,1H3;1H4;;1H/q+1;;;2*+1;;2*+1;;;;/p-5
InChIKeyRGVHTGXMVSILDS-UHFFFAOYSA-I
XLogP13.47
TPSA290.92 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.91
LogP ≤ 513.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride with MolForge

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Related Compounds

8-Anilinonaphthalene-1-sulfonate;bis(4-methylphenyl)iodanium;9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-diethoxy-6-oxidoperoxysulfanylanthracene-2-sulfonate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;pentakis(diphenyliodanium);2-oxidoperoxysulfanylanthracene-9,10-dione;trifluoromethanesulfonate
CID 157274622
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;trifluoromethanesulfonate
CID 157682025
benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)
CID 158570383
benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis(3-nitrophenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;tris(diphenyliodanium);1-ethoxy-4-oxidoperoxysulfanylnaphthalene;(4-methoxyphenyl)-phenyliodanium;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;1-oxidoperoxysulfanyl-4-(4,6,8-trimethylnonan-2-yl)benzene;pentafluoro-lambda5-phosphane;pentafluoro-lambda5-stibane;tridecane;bis(trifluoromethanesulfonate);difluoride
CID 159110896
8-Anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-lambda5-phosphane;pentafluoro-lambda5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride
CID 159902043
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;trifluoromethanesulfonate
CID 159938022
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-lambda5-arsane;trifluoromethanesulfonate;fluoride
CID 160226183
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);bis[4-(trifluoromethyl)phenyl]iodanium;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-lambda5-arsane;trifluoromethanesulfonate;fluoride
CID 161629869
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methylphenyl)iodanium;9,10-dioxoanthracene-2-sulfonate;tris(diphenyliodanium);1-ethoxy-4-oxidoperoxysulfanylnaphthalene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate
CID 157120188
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methylphenyl)iodanium;9,10-dioxoanthracene-2-sulfonate;bis(diphenyliodanium);7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate
CID 159539180
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methylphenyl)iodanium;9,10-dioxoanthracene-2-sulfonate;bis(diphenyliodanium);7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-1-sulfonate
CID 159640640
8-Anilinonaphthalene-1-sulfonate;9,10-diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;tetrakis(diphenyliodanium);2-oxidoperoxysulfanylanthracene-9,10-dione
CID 160227037

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride?
The IUPAC name of 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride (CID 160622066) is 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride.
What is the SMILES notation for 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride?
The canonical SMILES for 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride is C.CCOc1ccc(SOO[O-])c2ccccc12.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.F[As](F)(F)(F)F.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1.[F-].[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.
What is the InChIKey of 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride?
The InChIKey is RGVHTGXMVSILDS-UHFFFAOYSA-I. The full InChI is InChI=1S/C16H18I.C16H13NO3S.C16H14O5S.2C14H14I.C14H12O5S.C12H8Cl2I.C12H9INO2.C12H12O4S.CH4.AsF5.FH/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-2-14-11-7-8-12(17-16-15-13)10-6-4-3-5-9(10)11;;2-1(3,4,5)6;/h5-10H,1-4H3;1-11,17-18H;3-9,17H,1-2H3;2*3-10H,1-2H3;2-9H,1H3,(H,16,17,18);1-8H;1-9H;3-8,13H,2H2,1H3;1H4;;1H/q+1;;;2*+1;;2*+1;;;;/p-5.
What are the key properties of 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride?
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride has a molecular weight of 2994.91 g/mol, XLogP of 13.47, 30 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-λ5-arsane;fluoride is sourced from PubChem (CID 160622066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).