8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate

C182H147Cl5F36I10NO22P4S5Sb — CID 160544628

IUPAC8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate
SMILESCCOc1ccc(S(=O)(=O)[O-])c2ccccc12.COOCc1cccc([I+]c2cccc(C(=O)OC)c2)c1.COc1c2ccccc2c(C)c2ccc(S(=O)(=O)[O-])cc12.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccc2cccc(Nc3ccccc3)c2c1.[F-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2
InChIInChI=1S/C20H14I.C16H16IO4.C16H13NO3S.C16H14O4S.2C14H14I.C12H6Cl4I.C12H7ClI.C12H8I.3C12H10I.C12H12O4S.2CHF3O3S.4F6P.6FH.H2O.Sb/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-19-16(18)13-6-4-8-15(10-13)17-14-7-3-5-12(9-14)11-21-20-2;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-10-12-5-3-4-6-14(12)16(20-2)15-9-11(21(17,18)19)7-8-13(10)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;/h1-14H;3-10H,11H2,1-2H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,1-2H3;1-6H;1-7H;1-8H;3*1-10H;3-8H,2H2,1H3,(H,13,14,15);2*(H,5,6,7);;;;;6*1H;1H2;/q2*+1;;;8*+1;;;;4*-1;;;;;;;;+5/p-11
InChIKeyJJIXSSBANZCSFM-UHFFFAOYSA-C
MW5236.39 g/mol
LogP25.16
Rot. Bonds28

About 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate

8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate (PubChem CID 160544628) has the molecular formula C182H147Cl5F36I10NO22P4S5Sb and a molecular weight of 5236.39 g/mol. Its IUPAC name is 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate.

Molecular Properties

Compound Name8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate
PubChem CID160544628
Molecular FormulaC182H147Cl5F36I10NO22P4S5Sb
Molecular Weight5236.39 g/mol
Exact Mass5230.53
IUPAC Name8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate
SMILESCCOc1ccc(S(=O)(=O)[O-])c2ccccc12.COOCc1cccc([I+]c2cccc(C(=O)OC)c2)c1.COc1c2ccccc2c(C)c2ccc(S(=O)(=O)[O-])cc12.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccc2cccc(Nc3ccccc3)c2c1.[F-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2
InChIInChI=1S/C20H14I.C16H16IO4.C16H13NO3S.C16H14O4S.2C14H14I.C12H6Cl4I.C12H7ClI.C12H8I.3C12H10I.C12H12O4S.2CHF3O3S.4F6P.6FH.H2O.Sb/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-19-16(18)13-6-4-8-15(10-13)17-14-7-3-5-12(9-14)11-21-20-2;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-10-12-5-3-4-6-14(12)16(20-2)15-9-11(21(17,18)19)7-8-13(10)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;/h1-14H;3-10H,11H2,1-2H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,1-2H3;1-6H;1-7H;1-8H;3*1-10H;3-8H,2H2,1H3,(H,13,14,15);2*(H,5,6,7);;;;;6*1H;1H2;/q2*+1;;;8*+1;;;;4*-1;;;;;;;;+5/p-11
InChIKeyJJIXSSBANZCSFM-UHFFFAOYSA-C
XLogP25.16
TPSA392.75 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005236.39
LogP ≤ 525.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate?
The IUPAC name of 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate (CID 160544628) is 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate.
What is the SMILES notation for 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate?
The canonical SMILES for 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate is CCOc1ccc(S(=O)(=O)[O-])c2ccccc12.COOCc1cccc([I+]c2cccc(C(=O)OC)c2)c1.COc1c2ccccc2c(C)c2ccc(S(=O)(=O)[O-])cc12.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1ccc2cccc(Nc3ccccc3)c2c1.[F-].c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2.
What is the InChIKey of 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate?
The InChIKey is JJIXSSBANZCSFM-UHFFFAOYSA-C. The full InChI is InChI=1S/C20H14I.C16H16IO4.C16H13NO3S.C16H14O4S.2C14H14I.C12H6Cl4I.C12H7ClI.C12H8I.3C12H10I.C12H12O4S.2CHF3O3S.4F6P.6FH.H2O.Sb/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-19-16(18)13-6-4-8-15(10-13)17-14-7-3-5-12(9-14)11-21-20-2;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-10-12-5-3-4-6-14(12)16(20-2)15-9-11(21(17,18)19)7-8-13(10)15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;/h1-14H;3-10H,11H2,1-2H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,1-2H3;1-6H;1-7H;1-8H;3*1-10H;3-8H,2H2,1H3,(H,13,14,15);2*(H,5,6,7);;;;;6*1H;1H2;/q2*+1;;;8*+1;;;;4*-1;;;;;;;;+5/p-11.
What are the key properties of 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate?
8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate has a molecular weight of 5236.39 g/mol, XLogP of 25.16, 28 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinonaphthalene-2-sulfonate;bis(2,4-dichlorophenyl)iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;dinaphthalen-1-yliodanium;tris(diphenyliodanium);4-ethoxynaphthalene-1-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;(3-methoxycarbonylphenyl)-[3-(methylperoxymethyl)phenyl]iodanium;9-methoxy-10-methylanthracene-2-sulfonate;pentafluoro-λ5-stibane;bis(trifluoromethanesulfonate);fluoride;tetrahexafluorophosphate;hydrate is sourced from PubChem (CID 160544628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).