sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide

C282H80F17N8NaO12S2 — CID 161358535

IUPACsodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide
SMILESC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(=O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.COC(=O)c1ccc(-c2cn(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc1.O=S(=O)([O-])C(F)(F)F.[Na+].[OH-]
InChIInChI=1S/C94H2.C92H6.C29H23F4N3O3.C28H24FN3O3.C24H14F4N2O2.C13H6F5S.CHF3O3S.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-28(2,3)27(38)36-22-14-21-23(13-18(22)15-34-36)35(20-11-9-19(30)10-12-20)25(29(31,32)33)24(21)16-5-7-17(8-6-16)26(37)39-4;1-28(2,3)27(34)32-24-14-22-23(17-5-7-18(8-6-17)26(33)35-4)16-31(21-11-9-20(29)10-12-21)25(22)13-19(24)15-30-32;25-17-5-7-18(8-6-17)30-20-10-16-12-29-11-15(16)9-19(20)21(22(30)24(26,27)28)13-1-3-14(4-2-13)23(31)32;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7;;;/h1-2H;1-2H3;5-15H,1-4H3;5-16H,1-4H3;1-10,12H,11H2,(H,31,32);1-6H;(H,5,6,7);1H4;;1H2/q;;;;;+1;;;+1;/p-2
InChIKeyVOWBTNZELHCFQO-UHFFFAOYSA-L
MW4181.88 g/mol
LogP24.22
Rot. Bonds9

About sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide

sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide (PubChem CID 161358535) has the molecular formula C282H80F17N8NaO12S2 and a molecular weight of 4181.88 g/mol. Its IUPAC name is sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide.

Molecular Properties

Compound Namesodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide
PubChem CID161358535
Molecular FormulaC282H80F17N8NaO12S2
Molecular Weight4181.88 g/mol
Exact Mass4178.50
IUPAC Namesodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide
SMILESC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(=O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.COC(=O)c1ccc(-c2cn(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc1.O=S(=O)([O-])C(F)(F)F.[Na+].[OH-]
InChIInChI=1S/C94H2.C92H6.C29H23F4N3O3.C28H24FN3O3.C24H14F4N2O2.C13H6F5S.CHF3O3S.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-28(2,3)27(38)36-22-14-21-23(13-18(22)15-34-36)35(20-11-9-19(30)10-12-20)25(29(31,32)33)24(21)16-5-7-17(8-6-16)26(37)39-4;1-28(2,3)27(34)32-24-14-22-23(17-5-7-18(8-6-17)26(33)35-4)16-31(21-11-9-20(29)10-12-21)25(22)13-19(24)15-30-32;25-17-5-7-18(8-6-17)30-20-10-16-12-29-11-15(16)9-19(20)21(22(30)24(26,27)28)13-1-3-14(4-2-13)23(31)32;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7;;;/h1-2H;1-2H3;5-15H,1-4H3;5-16H,1-4H3;1-10,12H,11H2,(H,31,32);1-6H;(H,5,6,7);1H4;;1H2/q;;;;;+1;;;+1;/p-2
InChIKeyVOWBTNZELHCFQO-UHFFFAOYSA-L
XLogP24.22
TPSA274.03 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004181.88
LogP ≤ 524.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide?
The IUPAC name of sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide (CID 161358535) is sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide.
What is the SMILES notation for sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide?
The canonical SMILES for sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(=O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.COC(=O)c1ccc(-c2cn(-c3ccc(F)cc3)c3cc4cnn(C(=O)C(C)(C)C)c4cc23)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(O)c1ccc(-c2c(C(F)(F)F)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc1.O=S(=O)([O-])C(F)(F)F.[Na+].[OH-].
What is the InChIKey of sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide?
The InChIKey is VOWBTNZELHCFQO-UHFFFAOYSA-L. The full InChI is InChI=1S/C94H2.C92H6.C29H23F4N3O3.C28H24FN3O3.C24H14F4N2O2.C13H6F5S.CHF3O3S.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-28(2,3)27(38)36-22-14-21-23(13-18(22)15-34-36)35(20-11-9-19(30)10-12-20)25(29(31,32)33)24(21)16-5-7-17(8-6-16)26(37)39-4;1-28(2,3)27(34)32-24-14-22-23(17-5-7-18(8-6-17)26(33)35-4)16-31(21-11-9-20(29)10-12-21)25(22)13-19(24)15-30-32;25-17-5-7-18(8-6-17)30-20-10-16-12-29-11-15(16)9-19(20)21(22(30)24(26,27)28)13-1-3-14(4-2-13)23(31)32;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7;;;/h1-2H;1-2H3;5-15H,1-4H3;5-16H,1-4H3;1-10,12H,11H2,(H,31,32);1-6H;(H,5,6,7);1H4;;1H2/q;;;;;+1;;;+1;/p-2.
What are the key properties of sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide?
sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide has a molecular weight of 4181.88 g/mol, XLogP of 24.22, 9 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;dononaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90-pentatetracontayne;4-[1-(4-fluorophenyl)-2-(trifluoromethyl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(trifluoromethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne;trifluoromethanesulfonate;hydroxide is sourced from PubChem (CID 161358535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).