tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

C282H164BClF5I3N12O13 — CID 158116230

IUPACtert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
SMILESC#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#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(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C#Cc1cc2c(cc1Cl)C=NC2.COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cnn4C(=O)OC(C)(C)C)cc32)ccc1F.Cc1cc(-n2c(C(C)C)cc3cc4c(cc32)C=NC4)ccc1F.Cc1cc(N)ccc1F.Cc1cc(Nc2cc3c(cc2C#CC(C)C)CN=C3)ccc1F.O=C1CCC(=O)N1I
InChIInChI=1S/C35H4.C34H2.C33H4.C32H6.C24H25FIN3O2.C20H18FIN2.2C20H19FN2.C16H6.C14H19BO4.C13H12ClN.C10H18O5.C7H8FN.C4H4INO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-13(2)22-21(26)17-11-19-15(12-27-29(19)23(30)31-24(4,5)6)10-20(17)28(22)16-7-8-18(25)14(3)9-16;1-11(2)20-19(22)16-7-13-9-23-10-14(13)8-18(16)24(20)15-4-5-17(21)12(3)6-15;1-12(2)19-8-14-7-15-10-22-11-16(15)9-20(14)23(19)17-4-5-18(21)13(3)6-17;1-13(2)4-5-15-9-16-11-22-12-17(16)10-20(15)23-18-6-7-19(21)14(3)8-18;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(16)17-5;1-9(2)3-4-10-5-11-7-15-8-12(11)6-13(10)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5-4-6(9)2-3-7(5)8;5-6-3(7)1-2-4(6)8/h1H,2H3;1-2H;1H,2H3;1-2H3;7-13H,1-6H3;4-8,10-11H,9H2,1-3H3;4-9,11-12H,10H2,1-3H3;6-10,12-13,23H,11H2,1-3H3;1-2H3;6-9H,1-5H3;5-6,8-9H,7H2,1-2H3;1-6H3;2-4H,9H2,1H3;1-2H2
InChIKeyFRAOJCPOPVYVRR-UHFFFAOYSA-N
MW4450.45 g/mol
LogP36.57
Rot. Bonds10

About tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (PubChem CID 158116230) has the molecular formula C282H164BClF5I3N12O13 and a molecular weight of 4450.45 g/mol. Its IUPAC name is tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.

Molecular Properties

Compound Nametert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
PubChem CID158116230
Molecular FormulaC282H164BClF5I3N12O13
Molecular Weight4450.45 g/mol
Exact Mass4446.94
IUPAC Nametert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
SMILESC#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#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(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C#Cc1cc2c(cc1Cl)C=NC2.COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cnn4C(=O)OC(C)(C)C)cc32)ccc1F.Cc1cc(-n2c(C(C)C)cc3cc4c(cc32)C=NC4)ccc1F.Cc1cc(N)ccc1F.Cc1cc(Nc2cc3c(cc2C#CC(C)C)CN=C3)ccc1F.O=C1CCC(=O)N1I
InChIInChI=1S/C35H4.C34H2.C33H4.C32H6.C24H25FIN3O2.C20H18FIN2.2C20H19FN2.C16H6.C14H19BO4.C13H12ClN.C10H18O5.C7H8FN.C4H4INO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-13(2)22-21(26)17-11-19-15(12-27-29(19)23(30)31-24(4,5)6)10-20(17)28(22)16-7-8-18(25)14(3)9-16;1-11(2)20-19(22)16-7-13-9-23-10-14(13)8-18(16)24(20)15-4-5-17(21)12(3)6-15;1-12(2)19-8-14-7-15-10-22-11-16(15)9-20(14)23(19)17-4-5-18(21)13(3)6-17;1-13(2)4-5-15-9-16-11-22-12-17(16)10-20(15)23-18-6-7-19(21)14(3)8-18;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(16)17-5;1-9(2)3-4-10-5-11-7-15-8-12(11)6-13(10)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5-4-6(9)2-3-7(5)8;5-6-3(7)1-2-4(6)8/h1H,2H3;1-2H;1H,2H3;1-2H3;7-13H,1-6H3;4-8,10-11H,9H2,1-3H3;4-9,11-12H,10H2,1-3H3;6-10,12-13,23H,11H2,1-3H3;1-2H3;6-9H,1-5H3;5-6,8-9H,7H2,1-2H3;1-6H3;2-4H,9H2,1H3;1-2H2
InChIKeyFRAOJCPOPVYVRR-UHFFFAOYSA-N
XLogP36.57
TPSA290.37 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004450.45
LogP ≤ 536.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?
The IUPAC name of tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (CID 158116230) is tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.
What is the SMILES notation for tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?
The canonical SMILES for tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is C#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#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(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C#Cc1cc2c(cc1Cl)C=NC2.COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cc32)C=NC4)ccc1F.Cc1cc(-n2c(C(C)C)c(I)c3cc4c(cnn4C(=O)OC(C)(C)C)cc32)ccc1F.Cc1cc(-n2c(C(C)C)cc3cc4c(cc32)C=NC4)ccc1F.Cc1cc(N)ccc1F.Cc1cc(Nc2cc3c(cc2C#CC(C)C)CN=C3)ccc1F.O=C1CCC(=O)N1I.
What is the InChIKey of tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?
The InChIKey is FRAOJCPOPVYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H4.C34H2.C33H4.C32H6.C24H25FIN3O2.C20H18FIN2.2C20H19FN2.C16H6.C14H19BO4.C13H12ClN.C10H18O5.C7H8FN.C4H4INO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-13(2)22-21(26)17-11-19-15(12-27-29(19)23(30)31-24(4,5)6)10-20(17)28(22)16-7-8-18(25)14(3)9-16;1-11(2)20-19(22)16-7-13-9-23-10-14(13)8-18(16)24(20)15-4-5-17(21)12(3)6-15;1-12(2)19-8-14-7-15-10-22-11-16(15)9-20(14)23(19)17-4-5-18(21)13(3)6-17;1-13(2)4-5-15-9-16-11-22-12-17(16)10-20(15)23-18-6-7-19(21)14(3)8-18;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(16)17-5;1-9(2)3-4-10-5-11-7-15-8-12(11)6-13(10)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5-4-6(9)2-3-7(5)8;5-6-3(7)1-2-4(6)8/h1H,2H3;1-2H;1H,2H3;1-2H3;7-13H,1-6H3;4-8,10-11H,9H2,1-3H3;4-9,11-12H,10H2,1-3H3;6-10,12-13,23H,11H2,1-3H3;1-2H3;6-9H,1-5H3;5-6,8-9H,7H2,1-2H3;1-6H3;2-4H,9H2,1H3;1-2H2.
What are the key properties of tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?
tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne has a molecular weight of 4450.45 g/mol, XLogP of 36.57, 10 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-fluoro-3-methylphenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-chloro-6-(3-methylbut-1-ynyl)-1H-isoindole;dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne;4-fluoro-3-methylaniline;1-(4-fluoro-3-methylphenyl)-3-iodo-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;N-(4-fluoro-3-methylphenyl)-6-(3-methylbut-1-ynyl)-1H-isoindol-5-amine;1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;hexadeca-2,4,6,8,10,12,14-heptayne;1-iodopyrrolidine-2,5-dione;methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is sourced from PubChem (CID 158116230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).