disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide

C366H160F13N13Na2O21 — CID 157496697

About disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide

disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide (PubChem CID 157496697) has the molecular formula C366H160F13N13Na2O21 and a molecular weight of 5368.33 g/mol. Its IUPAC name is disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide.

Molecular Properties

• Compound Name: disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide
• PubChem CID: 157496697
• Molecular Formula: C366H160F13N13Na2O21
• Molecular Weight: 5368.33 g/mol
• Exact Mass: 5364.14
• IUPAC Name: disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide
• SMILES: C.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.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#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.COC(=O)/C=C/c1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cnn(C(=O)OCc4ccccc4)c3c(F)c12.COC(=O)CC(C)OC.COC(=O)CCc1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3c(c(F)c12)CN=C3.Cc1cc(-n2c(C(C)C)c(CCC(=O)O)c3c(F)c4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)cc3c(F)c4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)cc3c(F)c4c(cnn4C(=O)OCc4ccccc4)cc32)ccc1F.O=C(O)C(F)(F)F.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.[H-].[Na+].[Na+].[OH-]
• InChI: InChI=1S/C74H2.C73H4.C72H6.C31H27F2N3O4.C27H23F2N3O2.C24H24F2N2O2.C23H22F2N2O2.C20H18F2N2.C12H11NO5.C6H12O3.C2HF3O2.2CH4.2Na.H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(2)29-23(11-13-26(37)39-4)27-25(35(29)22-10-12-24(32)19(3)14-22)15-21-16-34-36(30(21)28(27)33)31(38)40-17-20-8-6-5-7-9-20;1-16(2)23-13-21-24(31(23)20-9-10-22(28)17(3)11-20)12-19-14-30-32(26(19)25(21)29)27(33)34-15-18-7-5-4-6-8-18;1-13(2)24-17(6-8-21(29)30-4)22-20(10-15-11-27-12-18(15)23(22)26)28(24)16-5-7-19(25)14(3)9-16;1-12(2)23-16(5-7-20(28)29)21-19(9-14-10-26-11-17(14)22(21)25)27(23)15-4-6-18(24)13(3)8-15;1-11(2)18-8-15-19(7-13-9-23-10-16(13)20(15)22)24(18)14-4-5-17(21)12(3)6-14;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-5(8-2)4-6(7)9-3;3-2(4,5)1(6)7;;;;;;/h1-2H;1H,2H3;1-2H3;5-16,18H,17H2,1-4H3;4-14,16H,15H2,1-3H3;5,7,9-11,13H,6,8,12H2,1-4H3;4,6,8-10,12H,5,7,11H2,1-3H3,(H,28,29);4-9,11H,10H2,1-3H3;1-5H,6-8H2;5H,4H2,1-3H3;(H,6,7);2*1H4;;;1H2;/q;;;;;;;;;;;;;2*+1;;-1/p-1/b;;;13-11+
• InChIKey: IJURFJHZNQWGFJ-SFJWFMFCSA-M
• XLogP: 29.99
• TPSA: 415.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 415
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5368.33
LogP ≤ 5	29.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide?

The IUPAC name of disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide (CID 157496697) is disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide.

What is the SMILES notation for disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide?

The canonical SMILES for disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide is C.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.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#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.COC(=O)/C=C/c1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3cnn(C(=O)OCc4ccccc4)c3c(F)c12.COC(=O)CC(C)OC.COC(=O)CCc1c(C(C)C)n(-c2ccc(F)c(C)c2)c2cc3c(c(F)c12)CN=C3.Cc1cc(-n2c(C(C)C)c(CCC(=O)O)c3c(F)c4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)cc3c(F)c4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)cc3c(F)c4c(cnn4C(=O)OCc4ccccc4)cc32)ccc1F.O=C(O)C(F)(F)F.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.[H-].[Na+].[Na+].[OH-].

What is the InChIKey of disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide?

The InChIKey is IJURFJHZNQWGFJ-SFJWFMFCSA-M. The full InChI is InChI=1S/C74H2.C73H4.C72H6.C31H27F2N3O4.C27H23F2N3O2.C24H24F2N2O2.C23H22F2N2O2.C20H18F2N2.C12H11NO5.C6H12O3.C2HF3O2.2CH4.2Na.H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(2)29-23(11-13-26(37)39-4)27-25(35(29)22-10-12-24(32)19(3)14-22)15-21-16-34-36(30(21)28(27)33)31(38)40-17-20-8-6-5-7-9-20;1-16(2)23-13-21-24(31(23)20-9-10-22(28)17(3)11-20)12-19-14-30-32(26(19)25(21)29)27(33)34-15-18-7-5-4-6-8-18;1-13(2)24-17(6-8-21(29)30-4)22-20(10-15-11-27-12-18(15)23(22)26)28(24)16-5-7-19(25)14(3)9-16;1-12(2)23-16(5-7-20(28)29)21-19(9-14-10-26-11-17(14)22(21)25)27(23)15-4-6-18(24)13(3)8-15;1-11(2)18-8-15-19(7-13-9-23-10-16(13)20(15)22)24(18)14-4-5-17(21)12(3)6-14;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-5(8-2)4-6(7)9-3;3-2(4,5)1(6)7;;;;;;/h1-2H;1H,2H3;1-2H3;5-16,18H,17H2,1-4H3;4-14,16H,15H2,1-3H3;5,7,9-11,13H,6,8,12H2,1-4H3;4,6,8-10,12H,5,7,11H2,1-3H3,(H,28,29);4-9,11H,10H2,1-3H3;1-5H,6-8H2;5H,4H2,1-3H3;(H,6,7);2*1H4;;;1H2;/q;;;;;;;;;;;;;2*+1;;-1/p-1/b;;;13-11+;;;;;;;;;;;;;.

What are the key properties of disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide?

disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide has a molecular weight of 5368.33 g/mol, XLogP of 29.99, 28 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-7-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;benzyl 8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;doheptaconta-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-pentatriacontayne;4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;hydride;methane;methyl 3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoate;methyl 3-methoxybutanoate;tetraheptaconta-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-heptatriacontayne;2,2,2-trifluoroacetic acid;triheptaconta-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-hexatriacontayne;hydroxide is sourced from PubChem (CID 157496697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).