2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene

C192H235B3Cl2F5I2N19O28 — CID 163620780

About 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene

2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene (PubChem CID 163620780) has the molecular formula C192H235B3Cl2F5I2N19O28 and a molecular weight of 3709.24 g/mol. Its IUPAC name is 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene.

Molecular Properties

• Compound Name: 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene
• PubChem CID: 163620780
• Molecular Formula: C192H235B3Cl2F5I2N19O28
• Molecular Weight: 3709.24 g/mol
• Exact Mass: 3706.52
• IUPAC Name: 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene
• SMILES: CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1F)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(\c1cc2ccccc2[nH]1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F)c1cccc(OC)c1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1cc2ccccc2[nH]1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(\c1cc2ccccc2[nH]1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)c(F)n1)C(=O)OC(C)(C)C.COc1cccc(I)c1
• InChI: InChI=1S/C37H42ClFN4O5.C37H43FN4O5.C36H48BFN4O6.C33H35ClFN3O3.C24H35B2NO4.C18H25FIN3O4.C7H7IO/c1-8-26(24-13-11-14-25(23-24)46-7)32(34-33(38)27-15-9-10-16-29(27)40-34)28-18-19-30(41-35(28)39)47-22-21-43(36(45)48-37(2,3)4)20-12-17-31(44)42(5)6;1-8-28(25-14-11-15-27(23-25)45-7)34(31-24-26-13-9-10-16-30(26)39-31)29-18-19-32(40-35(29)38)46-22-21-42(36(44)47-37(2,3)4)20-12-17-33(43)41(5)6;1-11-26(37-47-35(5,6)36(7,8)48-37)31(28-23-24-15-12-13-16-27(24)39-28)25-18-19-29(40-32(25)38)45-22-21-42(33(44)46-34(2,3)4)20-14-17-30(43)41(9)10;1-5-24(22-13-12-14-23(21-22)40-4)30(32-31(34)25-15-9-10-16-27(25)36-32)26-18-19-28(37-33(26)35)41-20-11-7-6-8-17-29(39)38(2)3;1-10-17(25-28-21(2,3)22(4,5)29-25)20(26-30-23(6,7)24(8,9)31-26)19-15-16-13-11-12-14-18(16)27-19;1-18(2,3)27-17(25)23(10-6-7-15(24)22(4)5)11-12-26-14-9-8-13(20)16(19)21-14;1-9-7-4-2-3-6(8)5-7/h9-19,23,40H,8,20-22H2,1-7H3;9-19,23-24,39H,8,20-22H2,1-7H3;12-19,23,39H,11,20-22H2,1-10H3;8-10,12-19,21,36H,5-7,11,20H2,1-4H3;11-15,27H,10H2,1-9H3;6-9H,10-12H2,1-5H3;2-5H,1H3/b17-12+,32-26+;17-12+,34-28+;17-14+,31-26+;17-8+,30-24+;20-17-;7-6+
• InChIKey: HNXOXFSOHOKKLM-GHSPIDSESA-N
• XLogP: 41.05
• TPSA: 501.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 59
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3709.24
LogP ≤ 5	41.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene?

The IUPAC name of 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene (CID 163620780) is 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene.

What is the SMILES notation for 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene?

The canonical SMILES for 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene is CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1F)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(\c1cc2ccccc2[nH]1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F)c1cccc(OC)c1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1cc2ccccc2[nH]1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(\c1cc2ccccc2[nH]1)c1ccc(OCCN(C/C=C/C(=O)N(C)C)C(=O)OC(C)(C)C)nc1F.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)c(F)n1)C(=O)OC(C)(C)C.COc1cccc(I)c1.

What is the InChIKey of 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene?

The InChIKey is HNXOXFSOHOKKLM-GHSPIDSESA-N. The full InChI is InChI=1S/C37H42ClFN4O5.C37H43FN4O5.C36H48BFN4O6.C33H35ClFN3O3.C24H35B2NO4.C18H25FIN3O4.C7H7IO/c1-8-26(24-13-11-14-25(23-24)46-7)32(34-33(38)27-15-9-10-16-29(27)40-34)28-18-19-30(41-35(28)39)47-22-21-43(36(45)48-37(2,3)4)20-12-17-31(44)42(5)6;1-8-28(25-14-11-15-27(23-25)45-7)34(31-24-26-13-9-10-16-30(26)39-31)29-18-19-32(40-35(29)38)46-22-21-42(36(44)47-37(2,3)4)20-12-17-33(43)41(5)6;1-11-26(37-47-35(5,6)36(7,8)48-37)31(28-23-24-15-12-13-16-27(24)39-28)25-18-19-29(40-32(25)38)45-22-21-42(33(44)46-34(2,3)4)20-14-17-30(43)41(9)10;1-5-24(22-13-12-14-23(21-22)40-4)30(32-31(34)25-15-9-10-16-27(25)36-32)26-18-19-28(37-33(26)35)41-20-11-7-6-8-17-29(39)38(2)3;1-10-17(25-28-21(2,3)22(4,5)29-25)20(26-30-23(6,7)24(8,9)31-26)19-15-16-13-11-12-14-18(16)27-19;1-18(2,3)27-17(25)23(10-6-7-15(24)22(4)5)11-12-26-14-9-8-13(20)16(19)21-14;1-9-7-4-2-3-6(8)5-7/h9-19,23,40H,8,20-22H2,1-7H3;9-19,23-24,39H,8,20-22H2,1-7H3;12-19,23,39H,11,20-22H2,1-10H3;8-10,12-19,21,36H,5-7,11,20H2,1-4H3;11-15,27H,10H2,1-9H3;6-9H,10-12H2,1-5H3;2-5H,1H3/b17-12+,32-26+;17-12+,34-28+;17-14+,31-26+;17-8+,30-24+;20-17-;7-6+;.

What are the key properties of 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene?

2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene has a molecular weight of 3709.24 g/mol, XLogP of 41.05, 59 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-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-[[6-fluoro-5-[(E)-1-(1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[6-fluoro-5-[(Z)-1-(1H-indol-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-[(6-fluoro-5-iodo-2-pyridinyl)oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-6-fluoro-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;1-iodo-3-methoxybenzene is sourced from PubChem (CID 163620780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).