1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane

C180H221BBr2N11O45P4PdS10- — CID 158157334

About 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane

1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane (PubChem CID 158157334) has the molecular formula C180H221BBr2N11O45P4PdS10- and a molecular weight of 3980.39 g/mol. Its IUPAC name is 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane.

Molecular Properties

• Compound Name: 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane
• PubChem CID: 158157334
• Molecular Formula: C180H221BBr2N11O45P4PdS10-
• Molecular Weight: 3980.39 g/mol
• Exact Mass: 3974.90
• IUPAC Name: 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane
• SMILES: C.CC(=O)C(C)C.CCCC(=O)c1cc(-c2cc(OC)c3c(c2)C(C)(C)C(C)=N3)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(N)c(OC)c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(NN)c(OC)c2)cc(C(=O)CCC)n1.CCNC(=O)c1cc(Br)cc(C(=O)NCC)n1.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.O=C(O)CCCCCBr.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S1(=O)CCCC1.O=S1(=O)CCCO1.P.P.P.[Pd].[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H30N2O3.C20H25N3O3.C20H24N2O3.C18H15P.C13H20BNO2.4C12H10.C11H14BrN3O2.C6H11BrO2.C6H5.C5H10O.C4H8O2S.C3H6O3S.CH4.8O3S.3H3P.Pd/c1-7-9-21(28)19-12-17(13-20(27-19)22(29)10-8-2)16-11-18-24(23(14-16)30-6)26-15(3)25(18,4)5;1-4-6-18(24)16-10-14(11-17(22-16)19(25)7-5-2)13-8-9-15(23-21)20(12-13)26-3;1-4-6-18(23)16-10-14(11-17(22-16)19(24)7-5-2)13-8-9-15(21)20(12-13)25-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-13-10(16)8-5-7(12)6-9(15-8)11(17)14-4-2;7-5-3-1-2-4-6(8)9;1-2-4-6-5-3-1;1-4(2)5(3)6;5-7(6)3-1-2-4-7;4-7(5)3-1-2-6-7;;8*1-4(2)3;;;;/h11-14H,7-10H2,1-6H3;8-12,23H,4-7,21H2,1-3H3;8-12H,4-7,21H2,1-3H3;1-15H;6-8H,15H2,1-5H3;4*1-10H;5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17);1-5H2,(H,8,9);1-5H;4H,1-3H3;1-4H2;1-3H2;1H4;;;;;;;;;3*1H3;/q;;;;;;;;;;;-1
• InChIKey: STYNPIDRQRFURT-UHFFFAOYSA-N
• XLogP: 31.95
• TPSA: 902.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 43
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3980.39
LogP ≤ 5	31.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane?

The IUPAC name of 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane (CID 158157334) is 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane.

What is the SMILES notation for 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane?

The canonical SMILES for 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane is C.CC(=O)C(C)C.CCCC(=O)c1cc(-c2cc(OC)c3c(c2)C(C)(C)C(C)=N3)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(N)c(OC)c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(NN)c(OC)c2)cc(C(=O)CCC)n1.CCNC(=O)c1cc(Br)cc(C(=O)NCC)n1.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.O=C(O)CCCCCBr.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S1(=O)CCCC1.O=S1(=O)CCCO1.P.P.P.[Pd].[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane?

The InChIKey is STYNPIDRQRFURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3.C20H25N3O3.C20H24N2O3.C18H15P.C13H20BNO2.4C12H10.C11H14BrN3O2.C6H11BrO2.C6H5.C5H10O.C4H8O2S.C3H6O3S.CH4.8O3S.3H3P.Pd/c1-7-9-21(28)19-12-17(13-20(27-19)22(29)10-8-2)16-11-18-24(23(14-16)30-6)26-15(3)25(18,4)5;1-4-6-18(24)16-10-14(11-17(22-16)19(25)7-5-2)13-8-9-15(23-21)20(12-13)26-3;1-4-6-18(23)16-10-14(11-17(22-16)19(24)7-5-2)13-8-9-15(21)20(12-13)25-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-13-10(16)8-5-7(12)6-9(15-8)11(17)14-4-2;7-5-3-1-2-4-6(8)9;1-2-4-6-5-3-1;1-4(2)5(3)6;5-7(6)3-1-2-4-7;4-7(5)3-1-2-6-7;;8*1-4(2)3;;;;/h11-14H,7-10H2,1-6H3;8-12,23H,4-7,21H2,1-3H3;8-12H,4-7,21H2,1-3H3;1-15H;6-8H,15H2,1-5H3;4*1-10H;5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17);1-5H2,(H,8,9);1-5H;4H,1-3H3;1-4H2;1-3H2;1H4;;;;;;;;;3*1H3;/q;;;;;;;;;;;-1;;;;;;;;;;;;;;;;.

What are the key properties of 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane?

1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane has a molecular weight of 3980.39 g/mol, XLogP of 31.95, 43 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-3-methoxyphenyl)-6-butanoyl-2-pyridinyl]butan-1-one;benzene;tetrakis(1,1'-biphenyl);4-bromo-2-N,6-N-diethylpyridine-2,6-dicarboxamide;6-bromohexanoic acid;1-[6-butanoyl-4-(4-hydrazinyl-3-methoxyphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(7-methoxy-2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;methane;3-methylbutan-2-one;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);thiolane 1,1-dioxide;triphenylphosphane is sourced from PubChem (CID 158157334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).