cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride

C320H130BCsF7IN8O13Si2 — CID 158688784

IUPACcesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride
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.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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C[Si](C)(C)CCOCn1ncc2cc3c(c(-c4ccc(C(=O)OCc5ccccc5)cc4)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.C[Si](C)(C)CCOCn1ncc2cc3c(c(I)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.O=C(OCc1ccccc1)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(c(F)c23)CN=C4)cc1.O=C(OCc1ccccc1)c1ccc(B(O)O)cc1.[Cs+].[F-]
InChIInChI=1S/C69H4.C68H6.C67H4.C40H41F2N3O4Si.C35H28F2N2O3.C26H30F2IN3O2Si.C14H13BO4.CH4.Cs.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-50(2,3)22-21-48-26-44-39-31(24-43-44)23-34-36(37(39)42)35(28-9-11-30(12-10-28)40(46)49-25-27-7-5-4-6-8-27)38(29-17-19-47-20-18-29)45(34)33-15-13-32(41)14-16-33;36-27-10-12-28(13-11-27)39-30-18-26-19-38-20-29(26)33(37)32(30)31(34(39)24-14-16-41-17-15-24)23-6-8-25(9-7-23)35(40)42-21-22-4-2-1-3-5-22;1-35(2,3)13-12-34-16-31-25-18(15-30-31)14-21-22(23(25)28)24(29)26(17-8-10-33-11-9-17)32(21)20-6-4-19(27)5-7-20;16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18;;;/h1H,2H3;1-2H3;1H,2H3;4-16,23-24,29H,17-22,25-26H2,1-3H3;1-13,18-19,24H,14-17,20-21H2;4-7,14-15,17H,8-13,16H2,1-3H3;1-9,17-18H,10H2;1H4;;1H/q;;;;;;;;+1;/p-1
InChIKeyIGBPYDKVTYUZKA-UHFFFAOYSA-M
MW4754.38 g/mol
LogP22.32
Rot. Bonds28

About cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride

cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride (PubChem CID 158688784) has the molecular formula C320H130BCsF7IN8O13Si2 and a molecular weight of 4754.38 g/mol. Its IUPAC name is cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride.

Molecular Properties

Compound Namecesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride
PubChem CID158688784
Molecular FormulaC320H130BCsF7IN8O13Si2
Molecular Weight4754.38 g/mol
Exact Mass4750.74
IUPAC Namecesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride
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.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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C[Si](C)(C)CCOCn1ncc2cc3c(c(-c4ccc(C(=O)OCc5ccccc5)cc4)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.C[Si](C)(C)CCOCn1ncc2cc3c(c(I)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.O=C(OCc1ccccc1)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(c(F)c23)CN=C4)cc1.O=C(OCc1ccccc1)c1ccc(B(O)O)cc1.[Cs+].[F-]
InChIInChI=1S/C69H4.C68H6.C67H4.C40H41F2N3O4Si.C35H28F2N2O3.C26H30F2IN3O2Si.C14H13BO4.CH4.Cs.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-50(2,3)22-21-48-26-44-39-31(24-43-44)23-34-36(37(39)42)35(28-9-11-30(12-10-28)40(46)49-25-27-7-5-4-6-8-27)38(29-17-19-47-20-18-29)45(34)33-15-13-32(41)14-16-33;36-27-10-12-28(13-11-27)39-30-18-26-19-38-20-29(26)33(37)32(30)31(34(39)24-14-16-41-17-15-24)23-6-8-25(9-7-23)35(40)42-21-22-4-2-1-3-5-22;1-35(2,3)13-12-34-16-31-25-18(15-30-31)14-21-22(23(25)28)24(29)26(17-8-10-33-11-9-17)32(21)20-6-4-19(27)5-7-20;16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18;;;/h1H,2H3;1-2H3;1H,2H3;4-16,23-24,29H,17-22,25-26H2,1-3H3;1-13,18-19,24H,14-17,20-21H2;4-7,14-15,17H,8-13,16H2,1-3H3;1-9,17-18H,10H2;1H4;;1H/q;;;;;;;;+1;/p-1
InChIKeyIGBPYDKVTYUZKA-UHFFFAOYSA-M
XLogP22.32
TPSA228.30 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004754.38
LogP ≤ 522.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride with MolForge

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Related Compounds

Benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate
CID 155640248
CID 160405542
CID 160405542
CID 157075765
CID 157075765
CID 157145120
CID 157145120
bis[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;2-fluoro-4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;(3-fluoro-4-methoxycarbonylphenyl)boronic acid;5-(4-fluorophenyl)-7-iodo-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazole;methane;methyl 2-fluoro-4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-propan-2-ylpyrrolo[2,3-f]indazol-7-yl]benzoate;tetraoctaconta-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-hentetracontayne
CID 157340185
4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;3-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-5-fluorobenzoic acid;4-[5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-fluorobenzoic acid
CID 157492274
potassium;benzyl 5-(4-fluorophenyl)-7-(2-methoxycarbonylspiro[3.3]heptan-6-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole-1-carboxylate;dotetracontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141-henheptacontayne;6-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]spiro[3.3]heptane-2-carboxylic acid;hentetracontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139-heptacontayne;methane;methyl 6-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]spiro[3.3]heptane-2-carboxylate;hydroxide
CID 158219783
4-[5-(4-fluorophenyl)-1-methyl-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[5-(4-fluorophenyl)-2-methyl-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-7-yl]benzoic acid;4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methane
CID 158420110
sodium;benzyl 8-fluoro-5-(4-fluorophenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;3-[4-fluoro-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;methane;methyl 3-[4-fluoro-1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;nonaheptaconta-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-nonatriacontayne;octaconta-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-nonatriacontayne;hydroxide
CID 158628466
CID 158807787
CID 158807787
1-[5-(4-Fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-7-yl]benzoate
CID 158911359
4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;methyl 4-[1-(2,2-dimethylpropanoyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-7-yl]benzoate
CID 159655589

Frequently Asked Questions

What is the IUPAC name of cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride?
The IUPAC name of cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride (CID 158688784) is cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride.
What is the SMILES notation for cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride?
The canonical SMILES for cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride 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.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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C[Si](C)(C)CCOCn1ncc2cc3c(c(-c4ccc(C(=O)OCc5ccccc5)cc4)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.C[Si](C)(C)CCOCn1ncc2cc3c(c(I)c(C4CCOCC4)n3-c3ccc(F)cc3)c(F)c21.O=C(OCc1ccccc1)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(c(F)c23)CN=C4)cc1.O=C(OCc1ccccc1)c1ccc(B(O)O)cc1.[Cs+].[F-].
What is the InChIKey of cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride?
The InChIKey is IGBPYDKVTYUZKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C69H4.C68H6.C67H4.C40H41F2N3O4Si.C35H28F2N2O3.C26H30F2IN3O2Si.C14H13BO4.CH4.Cs.FH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-50(2,3)22-21-48-26-44-39-31(24-43-44)23-34-36(37(39)42)35(28-9-11-30(12-10-28)40(46)49-25-27-7-5-4-6-8-27)38(29-17-19-47-20-18-29)45(34)33-15-13-32(41)14-16-33;36-27-10-12-28(13-11-27)39-30-18-26-19-38-20-29(26)33(37)32(30)31(34(39)24-14-16-41-17-15-24)23-6-8-25(9-7-23)35(40)42-21-22-4-2-1-3-5-22;1-35(2,3)13-12-34-16-31-25-18(15-30-31)14-21-22(23(25)28)24(29)26(17-8-10-33-11-9-17)32(21)20-6-4-19(27)5-7-20;16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18;;;/h1H,2H3;1-2H3;1H,2H3;4-16,23-24,29H,17-22,25-26H2,1-3H3;1-13,18-19,24H,14-17,20-21H2;4-7,14-15,17H,8-13,16H2,1-3H3;1-9,17-18H,10H2;1H4;;1H/q;;;;;;;;+1;/p-1.
What are the key properties of cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride?
cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride has a molecular weight of 4754.38 g/mol, XLogP of 22.32, 28 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;benzyl 4-[4-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzoate;benzyl 4-[8-fluoro-5-(4-fluorophenyl)-6-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-f]indazol-7-yl]benzoate;2-[[8-fluoro-5-(4-fluorophenyl)-7-iodo-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane;heptahexaconta-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-tritriacontayne;methane;nonahexaconta-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-tetratriacontayne;octahexaconta-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-tritriacontayne;(4-phenylmethoxycarbonylphenyl)boronic acid;fluoride is sourced from PubChem (CID 158688784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).