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

C235H82F6N7NaO9 — CID 158628466

IUPACsodium;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
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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#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)c1c(CCC(=O)O)c2c(F)c3c(cc2n1-c1ccc(F)cc1)C=NC3.COC(=O)/C=C/c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cnn(C(=O)OCc4ccccc4)c3c(F)c12.COC(=O)CCc1c(C(C)C)n(-c2ccc(F)cc2)c2cc3c(c(F)c12)CN=C3.[Na+].[OH-]
InChIInChI=1S/C80H6.C79H4.C30H25F2N3O4.C23H22F2N2O2.C22H20F2N2O2.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(2)28-23(13-14-25(36)38-3)26-24(34(28)22-11-9-21(31)10-12-22)15-20-16-33-35(29(20)27(26)32)30(37)39-17-19-7-5-4-6-8-19;1-13(2)23-17(8-9-20(28)29-3)21-19(10-14-11-26-12-18(14)22(21)25)27(23)16-6-4-15(24)5-7-16;1-12(2)22-16(7-8-19(27)28)20-18(9-13-10-25-11-17(13)21(20)24)26(22)15-5-3-14(23)4-6-15;;;/h1-2H3;1H,2H3;4-16,18H,17H2,1-3H3;4-7,10-11,13H,8-9,12H2,1-3H3;3-6,9-10,12H,7-8,11H2,1-2H3,(H,27,28);1H4;;1H2/q;;;;;;+1;/p-1/b;;14-13+;;;;;
InChIKeyHYWULJMRTVEYJV-OSJYRCSRSA-M
MW3284.26 g/mol
LogP16.20
Rot. Bonds16

About 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

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 (PubChem CID 158628466) has the molecular formula C235H82F6N7NaO9 and a molecular weight of 3284.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID158628466
Molecular FormulaC235H82F6N7NaO9
Molecular Weight3284.26 g/mol
Exact Mass3281.60
IUPAC Namesodium;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
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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#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)c1c(CCC(=O)O)c2c(F)c3c(cc2n1-c1ccc(F)cc1)C=NC3.COC(=O)/C=C/c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cnn(C(=O)OCc4ccccc4)c3c(F)c12.COC(=O)CCc1c(C(C)C)n(-c2ccc(F)cc2)c2cc3c(c(F)c12)CN=C3.[Na+].[OH-]
InChIInChI=1S/C80H6.C79H4.C30H25F2N3O4.C23H22F2N2O2.C22H20F2N2O2.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(2)28-23(13-14-25(36)38-3)26-24(34(28)22-11-9-21(31)10-12-22)15-20-16-33-35(29(20)27(26)32)30(37)39-17-19-7-5-4-6-8-19;1-13(2)23-17(8-9-20(28)29-3)21-19(10-14-11-26-12-18(14)22(21)25)27(23)16-6-4-15(24)5-7-16;1-12(2)22-16(7-8-19(27)28)20-18(9-13-10-25-11-17(13)21(20)24)26(22)15-5-3-14(23)4-6-15;;;/h1-2H3;1H,2H3;4-16,18H,17H2,1-3H3;4-7,10-11,13H,8-9,12H2,1-3H3;3-6,9-10,12H,7-8,11H2,1-2H3,(H,27,28);1H4;;1H2/q;;;;;;+1;/p-1/b;;14-13+;;;;;
InChIKeyHYWULJMRTVEYJV-OSJYRCSRSA-M
XLogP16.20
TPSA203.53 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003284.26
LogP ≤ 516.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#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)c1c(CCC(=O)O)c2c(F)c3c(cc2n1-c1ccc(F)cc1)C=NC3.COC(=O)/C=C/c1c(C(C)C)n(-c2ccc(F)cc2)c2cc3cnn(C(=O)OCc4ccccc4)c3c(F)c12.COC(=O)CCc1c(C(C)C)n(-c2ccc(F)cc2)c2cc3c(c(F)c12)CN=C3.[Na+].[OH-].
What is the InChIKey of 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?
The InChIKey is HYWULJMRTVEYJV-OSJYRCSRSA-M. The full InChI is InChI=1S/C80H6.C79H4.C30H25F2N3O4.C23H22F2N2O2.C22H20F2N2O2.CH4.Na.H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(2)28-23(13-14-25(36)38-3)26-24(34(28)22-11-9-21(31)10-12-22)15-20-16-33-35(29(20)27(26)32)30(37)39-17-19-7-5-4-6-8-19;1-13(2)23-17(8-9-20(28)29-3)21-19(10-14-11-26-12-18(14)22(21)25)27(23)16-6-4-15(24)5-7-16;1-12(2)22-16(7-8-19(27)28)20-18(9-13-10-25-11-17(13)21(20)24)26(22)15-5-3-14(23)4-6-15;;;/h1-2H3;1H,2H3;4-16,18H,17H2,1-3H3;4-7,10-11,13H,8-9,12H2,1-3H3;3-6,9-10,12H,7-8,11H2,1-2H3,(H,27,28);1H4;;1H2/q;;;;;;+1;/p-1/b;;14-13+;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3284.26 g/mol, XLogP of 16.20, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158628466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).