1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane

C183H217BBr3N12O46P4PdS10- — CID 159844264

About 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane

1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane (PubChem CID 159844264) has the molecular formula C183H217BBr3N12O46P4PdS10- and a molecular weight of 4122.30 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane.

Molecular Properties

• Compound Name: 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane
• PubChem CID: 159844264
• Molecular Formula: C183H217BBr3N12O46P4PdS10-
• Molecular Weight: 4122.30 g/mol
• Exact Mass: 4115.79
• IUPAC Name: 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane
• SMILES: C.CC(=O)C(C)C.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.CCCC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(NN)cc2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3c(c2)C(C)(C)C(C)=N3)cc(C(=O)CCC)n1.CCNC(=O)c1cc(Br)cc(C(=O)NCC)n1.O=C(O)CCCCCBr.O=C(O)c1cc(Br)ccn1.O=C=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=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/C24H28N2O2.C19H23N3O2.C19H22N2O2.C18H15P.C12H18BNO2.4C12H10.C11H14BrN3O2.C6H4BrNO2.C6H11BrO2.C6H5.C5H10O.C4H8O2S.C3H6O3S.CO2.CH4.8O3S.3H3P.Pd/c1-6-8-22(27)20-13-17(14-21(26-20)23(28)9-7-2)16-10-11-19-18(12-16)24(4,5)15(3)25-19;1-3-5-18(23)16-11-14(12-17(21-16)19(24)6-4-2)13-7-9-15(22-20)10-8-13;1-3-5-18(22)16-11-14(13-7-9-15(20)10-8-13)12-17(21-16)19(23)6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;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;7-4-1-2-8-5(3-4)6(9)10;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;2-1-3;;8*1-4(2)3;;;;/h10-14H,6-9H2,1-5H3;7-12,22H,3-6,20H2,1-2H3;7-12H,3-6,20H2,1-2H3;1-15H;5-8H,14H2,1-4H3;4*1-10H;5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17);1-3H,(H,9,10);1-5H2,(H,8,9);1-5H;4H,1-3H3;1-4H2;1-3H2;;1H4;;;;;;;;;3*1H3;/q;;;;;;;;;;;;-1
• InChIKey: INUDGTJITREPBG-UHFFFAOYSA-N
• XLogP: 32.57
• TPSA: 958.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Rotatable Bonds: 41
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4122.30
LogP ≤ 5	32.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

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-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane?

The IUPAC name of 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane (CID 159844264) is 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane.

What is the SMILES notation for 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane?

The canonical SMILES for 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane is C.CC(=O)C(C)C.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.CCCC(=O)c1cc(-c2ccc(N)cc2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc(NN)cc2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3c(c2)C(C)(C)C(C)=N3)cc(C(=O)CCC)n1.CCNC(=O)c1cc(Br)cc(C(=O)NCC)n1.O=C(O)CCCCCBr.O=C(O)c1cc(Br)ccn1.O=C=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=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-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane?

The InChIKey is INUDGTJITREPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.C19H23N3O2.C19H22N2O2.C18H15P.C12H18BNO2.4C12H10.C11H14BrN3O2.C6H4BrNO2.C6H11BrO2.C6H5.C5H10O.C4H8O2S.C3H6O3S.CO2.CH4.8O3S.3H3P.Pd/c1-6-8-22(27)20-13-17(14-21(26-20)23(28)9-7-2)16-10-11-19-18(12-16)24(4,5)15(3)25-19;1-3-5-18(23)16-11-14(12-17(21-16)19(24)6-4-2)13-7-9-15(22-20)10-8-13;1-3-5-18(22)16-11-14(13-7-9-15(20)10-8-13)12-17(21-16)19(23)6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;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;7-4-1-2-8-5(3-4)6(9)10;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;2-1-3;;8*1-4(2)3;;;;/h10-14H,6-9H2,1-5H3;7-12,22H,3-6,20H2,1-2H3;7-12H,3-6,20H2,1-2H3;1-15H;5-8H,14H2,1-4H3;4*1-10H;5-6H,3-4H2,1-2H3,(H,13,16)(H,14,17);1-3H,(H,9,10);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-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane?

1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane has a molecular weight of 4122.30 g/mol, XLogP of 32.57, 41 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-aminophenyl)-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;4-bromopyridine-2-carboxylic acid;1-[6-butanoyl-4-(4-hydrazinylphenyl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(2,3,3-trimethylindol-5-yl)-2-pyridinyl]butan-1-one;carbon dioxide;methane;3-methylbutan-2-one;oxathiolane 2,2-dioxide;palladium;phosphane;octakis(sulfur trioxide);4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;thiolane 1,1-dioxide;triphenylphosphane is sourced from PubChem (CID 159844264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).