benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane

C184H183BBr3N21O33 — CID 165003455

About benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane

benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane (PubChem CID 165003455) has the molecular formula C184H183BBr3N21O33 and a molecular weight of 3467.13 g/mol. Its IUPAC name is benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
• PubChem CID: 165003455
• Molecular Formula: C184H183BBr3N21O33
• Molecular Weight: 3467.13 g/mol
• Exact Mass: 3462.09
• IUPAC Name: benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc([N+](=O)[O-])cc2)OC1(C)C.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)Cc2ccc(-c3ccc(NC4CCC(=O)NC4=O)cc3)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCNCC1.Nc1ccc(-c2ccc(CC(=O)OCc3ccccc3)cc2)cc1.O=C(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1.O=C(Cc1ccc(Br)cc1)OCc1ccccc1.O=C(O)Cc1ccc(-c2ccc(NC3CCC(=O)NC3=O)cc2)cc1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Nc2ccc(-c3ccc(CC(=O)OCc4ccccc4)cc3)cc2)C(=O)N1.O=[N+]([O-])c1ccc(Br)cc1
• InChI: InChI=1S/C39H41N7O6.C26H24N2O4.C21H17NO4.C21H19NO2.C20H25N5O3.C19H18N2O4.C15H13BrO2.C12H16BNO4.C6H4BrNO2.C5H6BrNO2/c1-44-22-30(29-21-40-43-37(29)39(44)50)27-19-33(51-2)31(34(20-27)52-3)23-45-14-16-46(17-15-45)36(48)18-24-4-6-25(7-5-24)26-8-10-28(11-9-26)41-32-12-13-35(47)42-38(32)49;29-24-15-14-23(26(31)28-24)27-22-12-10-21(11-13-22)20-8-6-18(7-9-20)16-25(30)32-17-19-4-2-1-3-5-19;23-21(26-15-17-4-2-1-3-5-17)14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22(24)25;22-20-12-10-19(11-13-20)18-8-6-16(7-9-18)14-21(23)24-15-17-4-2-1-3-5-17;1-24-11-15(14-10-22-23-19(14)20(24)26)13-8-17(27-2)16(18(9-13)28-3)12-25-6-4-21-5-7-25;22-17-10-9-16(19(25)21-17)20-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-18(23)24;16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13;1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)14(15)16;7-5-1-3-6(4-2-5)8(9)10;6-3-1-2-4(8)7-5(3)9/h4-11,19-22,32,41H,12-18,23H2,1-3H3,(H,40,43)(H,42,47,49);1-13,23,27H,14-17H2,(H,28,29,31);1-13H,14-15H2;1-13H,14-15,22H2;8-11,21H,4-7,12H2,1-3H3,(H,22,23);1-8,16,20H,9-11H2,(H,23,24)(H,21,22,25);1-9H,10-11H2;5-8H,1-4H3;1-4H;3H,1-2H2,(H,7,8,9)
• InChIKey: IPKBHKBVWVFKLL-UHFFFAOYSA-N
• XLogP: 28.06
• TPSA: 714.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 45
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3467.13
LogP ≤ 5	28.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane?

The IUPAC name of benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane (CID 165003455) is benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane.

What is the SMILES notation for benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane?

The canonical SMILES for benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc([N+](=O)[O-])cc2)OC1(C)C.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)Cc2ccc(-c3ccc(NC4CCC(=O)NC4=O)cc3)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCNCC1.Nc1ccc(-c2ccc(CC(=O)OCc3ccccc3)cc2)cc1.O=C(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1.O=C(Cc1ccc(Br)cc1)OCc1ccccc1.O=C(O)Cc1ccc(-c2ccc(NC3CCC(=O)NC3=O)cc2)cc1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Nc2ccc(-c3ccc(CC(=O)OCc4ccccc4)cc3)cc2)C(=O)N1.O=[N+]([O-])c1ccc(Br)cc1.

What is the InChIKey of benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane?

The InChIKey is IPKBHKBVWVFKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N7O6.C26H24N2O4.C21H17NO4.C21H19NO2.C20H25N5O3.C19H18N2O4.C15H13BrO2.C12H16BNO4.C6H4BrNO2.C5H6BrNO2/c1-44-22-30(29-21-40-43-37(29)39(44)50)27-19-33(51-2)31(34(20-27)52-3)23-45-14-16-46(17-15-45)36(48)18-24-4-6-25(7-5-24)26-8-10-28(11-9-26)41-32-12-13-35(47)42-38(32)49;29-24-15-14-23(26(31)28-24)27-22-12-10-21(11-13-22)20-8-6-18(7-9-20)16-25(30)32-17-19-4-2-1-3-5-19;23-21(26-15-17-4-2-1-3-5-17)14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22(24)25;22-20-12-10-19(11-13-20)18-8-6-16(7-9-18)14-21(23)24-15-17-4-2-1-3-5-17;1-24-11-15(14-10-22-23-19(14)20(24)26)13-8-17(27-2)16(18(9-13)28-3)12-25-6-4-21-5-7-25;22-17-10-9-16(19(25)21-17)20-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-18(23)24;16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13;1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)14(15)16;7-5-1-3-6(4-2-5)8(9)10;6-3-1-2-4(8)7-5(3)9/h4-11,19-22,32,41H,12-18,23H2,1-3H3,(H,40,43)(H,42,47,49);1-13,23,27H,14-17H2,(H,28,29,31);1-13H,14-15H2;1-13H,14-15,22H2;8-11,21H,4-7,12H2,1-3H3,(H,22,23);1-8,16,20H,9-11H2,(H,23,24)(H,21,22,25);1-9H,10-11H2;5-8H,1-4H3;1-4H;3H,1-2H2,(H,7,8,9).

What are the key properties of benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane?

benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane has a molecular weight of 3467.13 g/mol, XLogP of 28.06, 45 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[4-(4-aminophenyl)phenyl]acetate;benzyl 2-(4-bromophenyl)acetate;benzyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetate;benzyl 2-[4-(4-nitrophenyl)phenyl]acetate;1-bromo-4-nitrobenzene;3-bromopiperidine-2,6-dione;3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]phenyl]anilino]piperidine-2,6-dione;4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one;2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]phenyl]acetic acid;4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165003455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).