tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C206H255B3Br2Cl2F6N16O24P2Pd — CID 161157764

About tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161157764) has the molecular formula C206H255B3Br2Cl2F6N16O24P2Pd and a molecular weight of 3884.90 g/mol. Its IUPAC name is tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161157764
• Molecular Formula: C206H255B3Br2Cl2F6N16O24P2Pd
• Molecular Weight: 3884.90 g/mol
• Exact Mass: 3879.57
• IUPAC Name: tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)C1.CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)C1.CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=Nc2ccc(Br)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.CC(C)(C)P(c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1)C(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cl[Pd]Cl.O=C(O)C(=O)O
• InChI: InChI=1S/C47H50F2N4O4.C46H49F2N5O4.C28H27BrF2N2O2.C24H34BN3O4.C19H23BrN2O2.2C14H23P.C12H24B2O4.C2H2O4.2ClH.Pd/c1-44(2,3)56-42(54)52-25-46(15-16-46)23-40(52)38-22-31(24-50-38)28-9-13-34-33-12-8-27(19-35(33)47(48,49)36(34)20-28)26-10-14-37-30(17-26)21-39(51-37)41-29-7-11-32(18-29)53(41)43(55)57-45(4,5)6;1-43(2,3)56-41(54)52-24-45(15-16-45)22-38(52)37-21-29(23-49-37)26-9-13-32-31-12-8-25(18-33(31)46(47,48)34(32)19-26)27-10-14-35-36(20-27)51-40(50-35)39-28-7-11-30(17-28)53(39)42(55)57-44(4,5)6;1-26(2,3)35-25(34)33-15-27(8-9-27)13-24(33)23-11-17(14-32-23)16-4-6-19-20-7-5-18(29)12-22(20)28(30,31)21(19)10-16;1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25;1-19(2,3)24-18(23)22-14-6-4-11(9-14)17(22)16-10-12-8-13(20)5-7-15(12)21-16;2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;3-1(4)2(5)6;;;/h8-10,12-14,17,19-20,24,29,32,40-41H,7,11,15-16,18,21-23,25H2,1-6H3;8-10,12-14,18-20,23,28,30,38-39H,7,11,15-17,21-22,24H2,1-6H3,(H,50,51);4-7,10,12,14,24H,8-9,11,13,15H2,1-3H3;9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27);5,7-8,11,14,17H,4,6,9-10H2,1-3H3;2*7-11H,1-6H3;1-8H3;(H,3,4)(H,5,6);2*1H;/q;;;;;;;;;;;+2/p-2/t29-,32+,40?,41-;28-,30+,38?,39-;;14-,16+,19-;11-,14+,17-;;;;;;;/m00.00......./s1
• InChIKey: FLFLUIHQUSRDED-IZYJALGDSA-L
• XLogP: 49.95
• TPSA: 455.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3884.90
LogP ≤ 5	49.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161157764) is tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)C1.CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)C1.CC(C)(C)OC(=O)N1CC2(CC2)CC1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=Nc2ccc(Br)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.CC(C)(C)P(c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1)C(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cl[Pd]Cl.O=C(O)C(=O)O.

What is the InChIKey of tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FLFLUIHQUSRDED-IZYJALGDSA-L. The full InChI is InChI=1S/C47H50F2N4O4.C46H49F2N5O4.C28H27BrF2N2O2.C24H34BN3O4.C19H23BrN2O2.2C14H23P.C12H24B2O4.C2H2O4.2ClH.Pd/c1-44(2,3)56-42(54)52-25-46(15-16-46)23-40(52)38-22-31(24-50-38)28-9-13-34-33-12-8-27(19-35(33)47(48,49)36(34)20-28)26-10-14-37-30(17-26)21-39(51-37)41-29-7-11-32(18-29)53(41)43(55)57-45(4,5)6;1-43(2,3)56-41(54)52-24-45(15-16-45)22-38(52)37-21-29(23-49-37)26-9-13-32-31-12-8-25(18-33(31)46(47,48)34(32)19-26)27-10-14-35-36(20-27)51-40(50-35)39-28-7-11-30(17-28)53(39)42(55)57-44(4,5)6;1-26(2,3)35-25(34)33-15-27(8-9-27)13-24(33)23-11-17(14-32-23)16-4-6-19-20-7-5-18(29)12-22(20)28(30,31)21(19)10-16;1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25;1-19(2,3)24-18(23)22-14-6-4-11(9-14)17(22)16-10-12-8-13(20)5-7-15(12)21-16;2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;3-1(4)2(5)6;;;/h8-10,12-14,17,19-20,24,29,32,40-41H,7,11,15-16,18,21-23,25H2,1-6H3;8-10,12-14,18-20,23,28,30,38-39H,7,11,15-17,21-22,24H2,1-6H3,(H,50,51);4-7,10,12,14,24H,8-9,11,13,15H2,1-3H3;9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27);5,7-8,11,14,17H,4,6,9-10H2,1-3H3;2*7-11H,1-6H3;1-8H3;(H,3,4)(H,5,6);2*1H;/q;;;;;;;;;;;+2/p-2/t29-,32+,40?,41-;28-,30+,38?,39-;;14-,16+,19-;11-,14+,17-;;;;;;;/m00.00......./s1.

What are the key properties of tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3884.90 g/mol, XLogP of 49.95, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (1R,3S,4S)-3-(5-bromo-3H-indol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[5-[9,9-difluoro-7-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(ditert-butyl(phenyl)phosphane);dichloropalladium;oxalic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161157764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).