bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)

C317H307B2F55I2O47S16 — CID 161358556

IUPACbis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)
SMILESCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H27O3S.2C25H3BF19.C24H25O2S.C20H26I.C19H15S.C18H14FS.C18H13OS.C18H14OS.C18H13S.C18H15S.C16H18I.8C9H16F2O5S/c1-4-26(2,3)25(27)29-18-17-28-19-13-15-20(16-14-19)30-23-11-7-5-9-21(23)22-10-6-8-12-24(22)30;2*1-2-3(8(28)16(36)15(35)7(2)27)26(4-9(29)17(37)23(43)18(38)10(4)30,5-11(31)19(39)24(44)20(40)12(5)32)6-13(33)21(41)25(45)22(42)14(6)34;1-4-24(2,3)23(25)26-19-15-17-22(18-16-19)27(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;8*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h5-16H,4,17-18H2,1-3H3;2*1H3;5-18H,4H2,1-3H3;7-14H,1-6H3;1-13H,14H2;1-14H;1-13H;1-14H;1-13H;1-15H;4-12H,1-3H3;8*6H,5H2,1-4H3,(H,13,14,15)/q+1;2*-1;5*+1;;3*+1;;;;;;;;/p-7
InChIKeyVOWDKNJFAONTFE-UHFFFAOYSA-G
MW6702.29 g/mol
LogP70.33
Rot. Bonds78

About bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)

bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) (PubChem CID 161358556) has the molecular formula C317H307B2F55I2O47S16 and a molecular weight of 6702.29 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide).

Molecular Properties

Compound Namebis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)
PubChem CID161358556
Molecular FormulaC317H307B2F55I2O47S16
Molecular Weight6702.29 g/mol
Exact Mass6697.46
IUPAC Namebis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)
SMILESCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H27O3S.2C25H3BF19.C24H25O2S.C20H26I.C19H15S.C18H14FS.C18H13OS.C18H14OS.C18H13S.C18H15S.C16H18I.8C9H16F2O5S/c1-4-26(2,3)25(27)29-18-17-28-19-13-15-20(16-14-19)30-23-11-7-5-9-21(23)22-10-6-8-12-24(22)30;2*1-2-3(8(28)16(36)15(35)7(2)27)26(4-9(29)17(37)23(43)18(38)10(4)30,5-11(31)19(39)24(44)20(40)12(5)32)6-13(33)21(41)25(45)22(42)14(6)34;1-4-24(2,3)23(25)26-19-15-17-22(18-16-19)27(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;8*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h5-16H,4,17-18H2,1-3H3;2*1H3;5-18H,4H2,1-3H3;7-14H,1-6H3;1-13H,14H2;1-14H;1-13H;1-14H;1-13H;1-15H;4-12H,1-3H3;8*6H,5H2,1-4H3,(H,13,14,15)/q+1;2*-1;5*+1;;3*+1;;;;;;;;/p-7
InChIKeyVOWDKNJFAONTFE-UHFFFAOYSA-G
XLogP70.33
TPSA759.29 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds78
Heavy Atoms439
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006702.29
LogP ≤ 570.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Analyze bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(4-butan-2-ylbenzenesulfonate);2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris((4-hydroxyphenyl) 2,2-dimethylbutanoate);bis(10-phenylphenoxathiin-10-ium);triphenylsulfanium
CID 157227361
Tris(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium
CID 157491789
Bis(4-tert-butylphenyl)iodanium;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;(4-hydroxyphenyl)-bis(4-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;tetrakis(2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate);bis(triphenylsulfanium)
CID 157641342
bis(bis[(3E)-penta-1,3-dien-3-yl]-phenylsulfanium);(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-(4-propan-2-ylphenyl)iodanium;bis(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);(4-hydroxyphenyl)-bis(4-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;tetrakis(2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate)
CID 157806888
Tris(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-fluoro-4-methylbenzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;4-methylphenol;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium
CID 157832014
2-Acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tetrakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium
CID 158835116
Tert-butyl 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)acetate;4-ethenylphenol;bis(3-(4-ethenylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);3-(4-phenoxathiin-10-ium-10-ylphenoxy)oxolan-2-one
CID 159391375
Bis(4-tert-butylphenyl)iodanium;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-hydroxyphenyl)-bis(4-methylphenyl)sulfanium;methane;5-phenyldibenzothiophen-5-ium;phenylsulfanium;2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoxy)benzenesulfonic acid;[2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoxy)phenyl]sulfonyloxidanium;bis(2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate)
CID 159694012
2-Acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tetrakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-tert-butylphenyl)-diphenylsulfanium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;pentakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis((4-fluorophenyl)-diphenylsulfanium);bis((4-hydroxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium
CID 159748222
Bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium
CID 160442047
tris(1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;methane;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium
CID 160809288
Bis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;methane;(2-methyl-1-phenylpropyl) 2,2-dimethylbutanoate;5-phenyldibenzothiophen-5-ium;1-(4-phenylphenyl)ethyl 2,2-dimethylbutanoate
CID 160886583

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)?
The IUPAC name of bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) (CID 161358556) is bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide).
What is the SMILES notation for bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)?
The canonical SMILES for bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) is CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)?
The InChIKey is VOWDKNJFAONTFE-UHFFFAOYSA-G. The full InChI is InChI=1S/C26H27O3S.2C25H3BF19.C24H25O2S.C20H26I.C19H15S.C18H14FS.C18H13OS.C18H14OS.C18H13S.C18H15S.C16H18I.8C9H16F2O5S/c1-4-26(2,3)25(27)29-18-17-28-19-13-15-20(16-14-19)30-23-11-7-5-9-21(23)22-10-6-8-12-24(22)30;2*1-2-3(8(28)16(36)15(35)7(2)27)26(4-9(29)17(37)23(43)18(38)10(4)30,5-11(31)19(39)24(44)20(40)12(5)32)6-13(33)21(41)25(45)22(42)14(6)34;1-4-24(2,3)23(25)26-19-15-17-22(18-16-19)27(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;8*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h5-16H,4,17-18H2,1-3H3;2*1H3;5-18H,4H2,1-3H3;7-14H,1-6H3;1-13H,14H2;1-14H;1-13H;1-14H;1-13H;1-15H;4-12H,1-3H3;8*6H,5H2,1-4H3,(H,13,14,15)/q+1;2*-1;5*+1;;3*+1;;;;;;;;/p-7.
What are the key properties of bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide)?
bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) has a molecular weight of 6702.29 g/mol, XLogP of 70.33, 78 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)iodanium;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2,2-dimethylbutanoate;octakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium;triphenylsulfanium;bis(tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluoro-6-methylphenyl)boranuide) is sourced from PubChem (CID 161358556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).