tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole

C275H333B3BrCl6F4I2N19O30Si3 — CID 163710572

IUPACtert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole
SMILESC#C[Si](C)(C)C.CC(C)(C)OC(=O)n1c(Br)cc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)C1=Cc2ccccc2C1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1.CCC#C[Si](C)(C)C.CCC#C[Si](C)(C)C.CCC#Cc1cc2ccccc2[nH]1.CCC#Cc1cc2ccccc2n1C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.Fc1ccc(I)c(Cl)c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C37H50BN3O6.C37H40Cl2FN3O4.C37H41ClFN3O4.C33H33Cl2FN2O2.C25H36B2O4.C18H26IN3O4.C17H19NO2.C13H14BrNO2.C13H15NO2.C12H11N.C8H7N.2C7H14Si.C6H3ClFI.C5H10Si/c1-11-30(38-46-36(5,6)37(7,8)47-38)33(29-23-26-15-12-13-16-27(26)24-29)28-18-19-31(39-25-28)44-22-21-41(34(43)45-35(2,3)4)20-14-17-32(42)40(9)10;1-7-27(29-16-15-26(40)22-31(29)38)34(30-21-24-11-8-9-12-28(24)35(30)39)25-14-17-32(41-23-25)46-20-19-43(36(45)47-37(2,3)4)18-10-13-33(44)42(5)6;1-7-30(31-16-15-29(39)23-32(31)38)35(28-21-25-11-8-9-12-26(25)22-28)27-14-17-33(40-24-27)45-20-19-42(36(44)46-37(2,3)4)18-10-13-34(43)41(5)6;1-4-25(27-16-15-24(36)20-29(27)34)32(28-19-22-11-8-9-12-26(22)33(28)35)23-14-17-30(37-21-23)40-18-10-6-5-7-13-31(39)38(2)3;1-10-20(26-28-22(2,3)23(4,5)29-26)21(27-30-24(6,7)25(8,9)31-27)19-15-17-13-11-12-14-18(17)16-19;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4;1-13(2,3)17-12(16)15-10-7-5-4-6-9(10)8-11(15)14;1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-2-3-7-11-9-10-6-4-5-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;2*1-5-6-7-8(2,3)4;7-5-3-4(8)1-2-6(5)9;1-5-6(2,3)4/h12-19,23,25H,11,20-22,24H2,1-10H3;8-17,22-23H,7,18-21H2,1-6H3;8-17,21,23-24H,7,18-20,22H2,1-6H3;7-9,11-17,20-21H,4-6,10,18-19H2,1-3H3;11-15H,10,16H2,1-9H3;6-9,13H,10-12H2,1-5H3;7-9,11-12H,5H2,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-6,8-9,13H,2H2,1H3;1-6,9H;2*5H2,1-4H3;1-3H;1H,2-4H3/b17-14+,33-30+;13-10+,34-27+;13-10+,35-30+;13-7+,32-25+;21-20-;7-6+;;;;;;;;;
InChIKeyKIWFDQIOXQJQKD-OGKJAPAKSA-N
MW5123.91 g/mol
LogP66.70
Rot. Bonds55

About tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole

tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole (PubChem CID 163710572) has the molecular formula C275H333B3BrCl6F4I2N19O30Si3 and a molecular weight of 5123.91 g/mol. Its IUPAC name is tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole.

Molecular Properties

Compound Nametert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole
PubChem CID163710572
Molecular FormulaC275H333B3BrCl6F4I2N19O30Si3
Molecular Weight5123.91 g/mol
Exact Mass5117.00
IUPAC Nametert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole
SMILESC#C[Si](C)(C)C.CC(C)(C)OC(=O)n1c(Br)cc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)C1=Cc2ccccc2C1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1.CCC#C[Si](C)(C)C.CCC#C[Si](C)(C)C.CCC#Cc1cc2ccccc2[nH]1.CCC#Cc1cc2ccccc2n1C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.Fc1ccc(I)c(Cl)c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C37H50BN3O6.C37H40Cl2FN3O4.C37H41ClFN3O4.C33H33Cl2FN2O2.C25H36B2O4.C18H26IN3O4.C17H19NO2.C13H14BrNO2.C13H15NO2.C12H11N.C8H7N.2C7H14Si.C6H3ClFI.C5H10Si/c1-11-30(38-46-36(5,6)37(7,8)47-38)33(29-23-26-15-12-13-16-27(26)24-29)28-18-19-31(39-25-28)44-22-21-41(34(43)45-35(2,3)4)20-14-17-32(42)40(9)10;1-7-27(29-16-15-26(40)22-31(29)38)34(30-21-24-11-8-9-12-28(24)35(30)39)25-14-17-32(41-23-25)46-20-19-43(36(45)47-37(2,3)4)18-10-13-33(44)42(5)6;1-7-30(31-16-15-29(39)23-32(31)38)35(28-21-25-11-8-9-12-26(25)22-28)27-14-17-33(40-24-27)45-20-19-42(36(44)46-37(2,3)4)18-10-13-34(43)41(5)6;1-4-25(27-16-15-24(36)20-29(27)34)32(28-19-22-11-8-9-12-26(22)33(28)35)23-14-17-30(37-21-23)40-18-10-6-5-7-13-31(39)38(2)3;1-10-20(26-28-22(2,3)23(4,5)29-26)21(27-30-24(6,7)25(8,9)31-27)19-15-17-13-11-12-14-18(17)16-19;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4;1-13(2,3)17-12(16)15-10-7-5-4-6-9(10)8-11(15)14;1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-2-3-7-11-9-10-6-4-5-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;2*1-5-6-7-8(2,3)4;7-5-3-4(8)1-2-6(5)9;1-5-6(2,3)4/h12-19,23,25H,11,20-22,24H2,1-10H3;8-17,22-23H,7,18-21H2,1-6H3;8-17,21,23-24H,7,18-20,22H2,1-6H3;7-9,11-17,20-21H,4-6,10,18-19H2,1-3H3;11-15H,10,16H2,1-9H3;6-9,13H,10-12H2,1-5H3;7-9,11-12H,5H2,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-6,8-9,13H,2H2,1H3;1-6,9H;2*5H2,1-4H3;1-3H;1H,2-4H3/b17-14+,33-30+;13-10+,34-27+;13-10+,35-30+;13-7+,32-25+;21-20-;7-6+;;;;;;;;;
InChIKeyKIWFDQIOXQJQKD-OGKJAPAKSA-N
XLogP66.70
TPSA510.96 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds55
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005123.91
LogP ≤ 566.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole with MolForge

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What is the IUPAC name of tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole?
The IUPAC name of tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole (CID 163710572) is tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole.
What is the SMILES notation for tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole?
The canonical SMILES for tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole is C#C[Si](C)(C)C.CC(C)(C)OC(=O)n1c(Br)cc2ccccc21.CC(C)(C)OC(=O)n1ccc2ccccc21.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=C(Cl)c2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1)c1ccc(F)cc1Cl.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)C1=Cc2ccccc2C1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(\C1=Cc2ccccc2C1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1.CCC#C[Si](C)(C)C.CCC#C[Si](C)(C)C.CCC#Cc1cc2ccccc2[nH]1.CCC#Cc1cc2ccccc2n1C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.Fc1ccc(I)c(Cl)c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole?
The InChIKey is KIWFDQIOXQJQKD-OGKJAPAKSA-N. The full InChI is InChI=1S/C37H50BN3O6.C37H40Cl2FN3O4.C37H41ClFN3O4.C33H33Cl2FN2O2.C25H36B2O4.C18H26IN3O4.C17H19NO2.C13H14BrNO2.C13H15NO2.C12H11N.C8H7N.2C7H14Si.C6H3ClFI.C5H10Si/c1-11-30(38-46-36(5,6)37(7,8)47-38)33(29-23-26-15-12-13-16-27(26)24-29)28-18-19-31(39-25-28)44-22-21-41(34(43)45-35(2,3)4)20-14-17-32(42)40(9)10;1-7-27(29-16-15-26(40)22-31(29)38)34(30-21-24-11-8-9-12-28(24)35(30)39)25-14-17-32(41-23-25)46-20-19-43(36(45)47-37(2,3)4)18-10-13-33(44)42(5)6;1-7-30(31-16-15-29(39)23-32(31)38)35(28-21-25-11-8-9-12-26(25)22-28)27-14-17-33(40-24-27)45-20-19-42(36(44)46-37(2,3)4)18-10-13-34(43)41(5)6;1-4-25(27-16-15-24(36)20-29(27)34)32(28-19-22-11-8-9-12-26(22)33(28)35)23-14-17-30(37-21-23)40-18-10-6-5-7-13-31(39)38(2)3;1-10-20(26-28-22(2,3)23(4,5)29-26)21(27-30-24(6,7)25(8,9)31-27)19-15-17-13-11-12-14-18(17)16-19;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4;1-13(2,3)17-12(16)15-10-7-5-4-6-9(10)8-11(15)14;1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;1-2-3-7-11-9-10-6-4-5-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;2*1-5-6-7-8(2,3)4;7-5-3-4(8)1-2-6(5)9;1-5-6(2,3)4/h12-19,23,25H,11,20-22,24H2,1-10H3;8-17,22-23H,7,18-21H2,1-6H3;8-17,21,23-24H,7,18-20,22H2,1-6H3;7-9,11-17,20-21H,4-6,10,18-19H2,1-3H3;11-15H,10,16H2,1-9H3;6-9,13H,10-12H2,1-5H3;7-9,11-12H,5H2,1-4H3;4-8H,1-3H3;4-9H,1-3H3;4-6,8-9,13H,2H2,1H3;1-6,9H;2*5H2,1-4H3;1-3H;1H,2-4H3/b17-14+,33-30+;13-10+,34-27+;13-10+,35-30+;13-7+,32-25+;21-20-;7-6+;;;;;;;;;.
What are the key properties of tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole?
tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole has a molecular weight of 5123.91 g/mol, XLogP of 66.70, 55 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-bromoindole-1-carboxylate;tert-butyl 2-but-1-ynylindole-1-carboxylate;tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl indole-1-carboxylate;2-but-1-ynyl-1H-indole;bis(but-1-ynyl(trimethyl)silane);2-chloro-4-fluoro-1-iodobenzene;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;ethynyl(trimethyl)silane;2-[(Z)-1-(1H-inden-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1H-indole is sourced from PubChem (CID 163710572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).