bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)

C289H252F21I23N8O61S16 — CID 161462838

IUPACbis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)
SMILESCC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(OC(=O)C1CCCCC1C(=O)NC(=O)c1cc(I)cc(I)c1O)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(NC(=O)c2ccc(O)cc2I)cc1)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.O=C(CCCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CI)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H35O3S.C26H27O3S.C21H18IO2S.C20H16IO2S.C19H14F3S.C18H19F2I2NO8S.C18H13F2S.2C18H13S.C17H14F2INO7S.4C14H14F2I3NO6S.C13H12F2I3NO6S.C12H10F2I3NO6S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-26(18-8-9-19-26)29-25(27)20-28-21-14-16-24(17-15-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-16(22)21(23)24-17-12-14-20(15-13-17)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;21-15-20(22)23-16-11-13-19(14-12-16)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8(18(19,20)32(28,29)30)31-17(27)11-5-3-2-4-10(11)15(25)23-16(26)12-6-9(21)7-13(22)14(12)24;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-9(17(18,19)29(25,26)27)28-16(24)10-2-4-11(5-3-10)21-15(23)13-7-6-12(22)8-14(13)20;4*1-7(14(15,16)27(23,24)25)26-11(21)3-2-4-20-13(22)9-5-8(17)6-10(18)12(9)19;14-13(15,26(22,23)24)6-25-10(20)2-1-3-19-12(21)8-4-7(16)5-9(17)11(8)18;13-12(14,25(21,22)23)5-24-9(19)1-2-18-11(20)7-3-6(15)4-8(16)10(7)17/h4-13,22-25H,14-19H2,1-3H3;2-7,10-17H,8-9,18-20H2,1H3;2-16H,1H3;1-14H,15H2;1-14H;6-8,10-11,24H,2-5H2,1H3,(H,23,25,26)(H,28,29,30);1-13H;2*1-13H;2-9,22H,1H3,(H,21,23)(H,25,26,27);4*5-7H,2-4H2,1H3,(H,20,22)(H,23,24,25);4-5H,1-3,6H2,(H,19,21)(H,22,23,24);3-4H,1-2,5H2,(H,18,20)(H,21,22,23)/q5*+1;;3*+1;;;;;;;/p-8
InChIKeyWCASUVDZPUIQMK-UHFFFAOYSA-F
MW8644.01 g/mol
LogP70.46
Rot. Bonds89

About bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)

bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) (PubChem CID 161462838) has the molecular formula C289H252F21I23N8O61S16 and a molecular weight of 8644.01 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium).

Molecular Properties

Compound Namebis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)
PubChem CID161462838
Molecular FormulaC289H252F21I23N8O61S16
Molecular Weight8644.01 g/mol
Exact Mass8639.01
IUPAC Namebis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)
SMILESCC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(OC(=O)C1CCCCC1C(=O)NC(=O)c1cc(I)cc(I)c1O)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(NC(=O)c2ccc(O)cc2I)cc1)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.O=C(CCCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CI)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H35O3S.C26H27O3S.C21H18IO2S.C20H16IO2S.C19H14F3S.C18H19F2I2NO8S.C18H13F2S.2C18H13S.C17H14F2INO7S.4C14H14F2I3NO6S.C13H12F2I3NO6S.C12H10F2I3NO6S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-26(18-8-9-19-26)29-25(27)20-28-21-14-16-24(17-15-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-16(22)21(23)24-17-12-14-20(15-13-17)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;21-15-20(22)23-16-11-13-19(14-12-16)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8(18(19,20)32(28,29)30)31-17(27)11-5-3-2-4-10(11)15(25)23-16(26)12-6-9(21)7-13(22)14(12)24;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-9(17(18,19)29(25,26)27)28-16(24)10-2-4-11(5-3-10)21-15(23)13-7-6-12(22)8-14(13)20;4*1-7(14(15,16)27(23,24)25)26-11(21)3-2-4-20-13(22)9-5-8(17)6-10(18)12(9)19;14-13(15,26(22,23)24)6-25-10(20)2-1-3-19-12(21)8-4-7(16)5-9(17)11(8)18;13-12(14,25(21,22)23)5-24-9(19)1-2-18-11(20)7-3-6(15)4-8(16)10(7)17/h4-13,22-25H,14-19H2,1-3H3;2-7,10-17H,8-9,18-20H2,1H3;2-16H,1H3;1-14H,15H2;1-14H;6-8,10-11,24H,2-5H2,1H3,(H,23,25,26)(H,28,29,30);1-13H;2*1-13H;2-9,22H,1H3,(H,21,23)(H,25,26,27);4*5-7H,2-4H2,1H3,(H,20,22)(H,23,24,25);4-5H,1-3,6H2,(H,19,21)(H,22,23,24);3-4H,1-2,5H2,(H,18,20)(H,21,22,23)/q5*+1;;3*+1;;;;;;;/p-8
InChIKeyWCASUVDZPUIQMK-UHFFFAOYSA-F
XLogP70.46
TPSA1081.99 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds89
Heavy Atoms418
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008644.01
LogP ≤ 570.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Analyze bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)?
The IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) (CID 161462838) is bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium).
What is the SMILES notation for bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)?
The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) is CC(I)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(OC(=O)C1CCCCC1C(=O)NC(=O)c1cc(I)cc(I)c1O)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCCNC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(NC(=O)c2ccc(O)cc2I)cc1)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.O=C(CCCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CCNC(=O)c1cc(I)cc(I)c1I)OCC(F)(F)S(=O)(=O)[O-].O=C(CI)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)?
The InChIKey is WCASUVDZPUIQMK-UHFFFAOYSA-F. The full InChI is InChI=1S/C33H35O3S.C26H27O3S.C21H18IO2S.C20H16IO2S.C19H14F3S.C18H19F2I2NO8S.C18H13F2S.2C18H13S.C17H14F2INO7S.4C14H14F2I3NO6S.C13H12F2I3NO6S.C12H10F2I3NO6S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-26(18-8-9-19-26)29-25(27)20-28-21-14-16-24(17-15-21)30(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-16(22)21(23)24-17-12-14-20(15-13-17)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;21-15-20(22)23-16-11-13-19(14-12-16)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-8(18(19,20)32(28,29)30)31-17(27)11-5-3-2-4-10(11)15(25)23-16(26)12-6-9(21)7-13(22)14(12)24;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-9(17(18,19)29(25,26)27)28-16(24)10-2-4-11(5-3-10)21-15(23)13-7-6-12(22)8-14(13)20;4*1-7(14(15,16)27(23,24)25)26-11(21)3-2-4-20-13(22)9-5-8(17)6-10(18)12(9)19;14-13(15,26(22,23)24)6-25-10(20)2-1-3-19-12(21)8-4-7(16)5-9(17)11(8)18;13-12(14,25(21,22)23)5-24-9(19)1-2-18-11(20)7-3-6(15)4-8(16)10(7)17/h4-13,22-25H,14-19H2,1-3H3;2-7,10-17H,8-9,18-20H2,1H3;2-16H,1H3;1-14H,15H2;1-14H;6-8,10-11,24H,2-5H2,1H3,(H,23,25,26)(H,28,29,30);1-13H;2*1-13H;2-9,22H,1H3,(H,21,23)(H,25,26,27);4*5-7H,2-4H2,1H3,(H,20,22)(H,23,24,25);4-5H,1-3,6H2,(H,19,21)(H,22,23,24);3-4H,1-2,5H2,(H,18,20)(H,21,22,23)/q5*+1;;3*+1;;;;;;;/p-8.
What are the key properties of bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium)?
bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) has a molecular weight of 8644.01 g/mol, XLogP of 70.46, 89 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-phenylsulfanium;1,1-difluoro-2-[2-[(2-hydroxy-3,5-diiodobenzoyl)carbamoyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxy-2-iodobenzoyl)amino]benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]ethanesulfonate;tetrakis(1,1-difluoro-2-[4-[(2,3,5-triiodobenzoyl)amino]butanoyloxy]propane-1-sulfonate);1,1-difluoro-2-[3-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonate;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;[4-(2-iodoacetyl)oxyphenyl]-diphenylsulfanium;[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium) is sourced from PubChem (CID 161462838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).