3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)

C231H304F48N20O47S19 — CID 160595845

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)
SMILESC1CCC2=NCCCN2CC1.CCC(C)(C)OC(=O)C1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.COCCOCCOCCOCCN1CCOCC1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2cccc(CN3CCCCC3)c2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26NS.C24H51N.C21H16N2.2C18H15S.2C17H25O3S.C13H27NO5.2C12H13F9N3O8S3.C12H17F6NO5S2.C12H22O3.2C11H12F12N3O6S3.C9H16N2/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23)24-16-10-11-21(19-24)20-25-17-8-3-9-18-25;1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-17(2,3)16(21-11-9-20-10-12-21)15(18)13-5-7-14(19-4)8-6-13;1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;2*13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;1-4-12(2,3)15-11(14)9-5-7-10(13)8-6-9;2*12-7(13,14)1-2-25-3-5-26(6-4-25)35(31,32)10(19,20)8(15,16)9(17,18)33(27,28)24-34(29,30)11(21,22)23;1-2-5-9-10-6-4-8-11(9)7-3-1/h1-2,4-7,10-16,19H,3,8-9,17-18,20H2;4-24H2,1-3H3;1-15H,(H,22,23);2*1-15H;2*5-8,16H,9-12H2,1-4H3;2-13H2,1H3;2*7H,1-6H2;8-9H,1-7H2,(H,22,23,24);9-10,13H,4-8H2,1-3H3;2*1-6H2;1-8H2/q+1;;;4*+1;;2*-1;;;2*-1;/p-1
InChIKeyRDPUEUJUIPPIKS-UHFFFAOYSA-M
MW5634.24 g/mol
LogP46.90
Rot. Bonds97

About 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) (PubChem CID 160595845) has the molecular formula C231H304F48N20O47S19 and a molecular weight of 5634.24 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium).

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)
PubChem CID160595845
Molecular FormulaC231H304F48N20O47S19
Molecular Weight5634.24 g/mol
Exact Mass5629.59
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)
SMILESC1CCC2=NCCCN2CC1.CCC(C)(C)OC(=O)C1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.COCCOCCOCCOCCN1CCOCC1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2cccc(CN3CCCCC3)c2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26NS.C24H51N.C21H16N2.2C18H15S.2C17H25O3S.C13H27NO5.2C12H13F9N3O8S3.C12H17F6NO5S2.C12H22O3.2C11H12F12N3O6S3.C9H16N2/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23)24-16-10-11-21(19-24)20-25-17-8-3-9-18-25;1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-17(2,3)16(21-11-9-20-10-12-21)15(18)13-5-7-14(19-4)8-6-13;1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;2*13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;1-4-12(2,3)15-11(14)9-5-7-10(13)8-6-9;2*12-7(13,14)1-2-25-3-5-26(6-4-25)35(31,32)10(19,20)8(15,16)9(17,18)33(27,28)24-34(29,30)11(21,22)23;1-2-5-9-10-6-4-8-11(9)7-3-1/h1-2,4-7,10-16,19H,3,8-9,17-18,20H2;4-24H2,1-3H3;1-15H,(H,22,23);2*1-15H;2*5-8,16H,9-12H2,1-4H3;2-13H2,1H3;2*7H,1-6H2;8-9H,1-7H2,(H,22,23,24);9-10,13H,4-8H2,1-3H3;2*1-6H2;1-8H2/q+1;;;4*+1;;2*-1;;;2*-1;/p-1
InChIKeyRDPUEUJUIPPIKS-UHFFFAOYSA-M
XLogP46.90
TPSA856.92 Ų
H-Bond Donors2
H-Bond Acceptors57
Rotatable Bonds97
Heavy Atoms365
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005634.24
LogP ≤ 546.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1057

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) (CID 160595845) is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium).
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) is C1CCC2=NCCCN2CC1.CCC(C)(C)OC(=O)C1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.COCCOCCOCCOCCN1CCOCC1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2cccc(CN3CCCCC3)c2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)?
The InChIKey is RDPUEUJUIPPIKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26NS.C24H51N.C21H16N2.2C18H15S.2C17H25O3S.C13H27NO5.2C12H13F9N3O8S3.C12H17F6NO5S2.C12H22O3.2C11H12F12N3O6S3.C9H16N2/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23)24-16-10-11-21(19-24)20-25-17-8-3-9-18-25;1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-17(2,3)16(21-11-9-20-10-12-21)15(18)13-5-7-14(19-4)8-6-13;1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;2*13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;1-4-12(2,3)15-11(14)9-5-7-10(13)8-6-9;2*12-7(13,14)1-2-25-3-5-26(6-4-25)35(31,32)10(19,20)8(15,16)9(17,18)33(27,28)24-34(29,30)11(21,22)23;1-2-5-9-10-6-4-8-11(9)7-3-1/h1-2,4-7,10-16,19H,3,8-9,17-18,20H2;4-24H2,1-3H3;1-15H,(H,22,23);2*1-15H;2*5-8,16H,9-12H2,1-4H3;2-13H2,1H3;2*7H,1-6H2;8-9H,1-7H2,(H,22,23,24);9-10,13H,4-8H2,1-3H3;2*1-6H2;1-8H2/q+1;;;4*+1;;2*-1;;;2*-1;/p-1.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium)?
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) has a molecular weight of 5634.24 g/mol, XLogP of 46.90, 97 rotatable bonds, 2 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;N,N-dioctyloctan-1-amine;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);bis([1,1,2,2,3,3-hexafluoro-3-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;bis(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);2-methylbutan-2-yl 4-hydroxycyclohexane-1-carboxylate;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;2,4,5-triphenyl-1H-imidazole;bis(triphenylsulfanium) is sourced from PubChem (CID 160595845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).