acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C132H161B3Br2N10O41S8 — CID 159784133

IUPACacetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(=O)C(C)C.CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(N)ccc3c2)OC1(C)C.CCCC(=O)c1cc(-c2ccc3c4c(ccc3c2)N=C(C)C4(C)C)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(N)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(NN)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(Br)cc(C(=O)CCC)n1.Nc1ccc2cc(Br)ccc2c1.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
InChIInChI=1S/C28H30N2O2.C23H25N3O2.C23H24N2O2.C16H20BNO2.C13H16BrNO2.C12H24B2O4.C10H8BrN.C5H10O.C2H4O2.8O3S/c1-6-8-25(31)23-15-20(16-24(30-23)26(32)9-7-2)18-10-12-21-19(14-18)11-13-22-27(21)28(4,5)17(3)29-22;1-3-5-22(27)20-13-18(14-21(25-20)23(28)6-4-2)16-7-8-17-12-19(26-24)10-9-15(17)11-16;1-3-5-22(26)20-13-18(14-21(25-20)23(27)6-4-2)16-7-8-17-12-19(24)10-9-15(17)11-16;1-15(2)16(3,4)20-17(19-15)13-7-5-12-10-14(18)8-6-11(12)9-13;1-3-5-12(16)10-7-9(14)8-11(15-10)13(17)6-4-2;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-4(2)5(3)6;1-2(3)4;8*1-4(2)3/h10-16H,6-9H2,1-5H3;7-14,26H,3-6,24H2,1-2H3;7-14H,3-6,24H2,1-2H3;5-10H,18H2,1-4H3;7-8H,3-6H2,1-2H3;1-8H3;1-6H,12H2;4H,1-3H3;1H3,(H,3,4);;;;;;;;
InChIKeyLJGJCKVDOUGJIG-UHFFFAOYSA-N
MW2992.55 g/mol
LogP23.11
Rot. Bonds31

About acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159784133) has the molecular formula C132H161B3Br2N10O41S8 and a molecular weight of 2992.55 g/mol. Its IUPAC name is acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameacetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159784133
Molecular FormulaC132H161B3Br2N10O41S8
Molecular Weight2992.55 g/mol
Exact Mass2988.72
IUPAC Nameacetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(=O)C(C)C.CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(N)ccc3c2)OC1(C)C.CCCC(=O)c1cc(-c2ccc3c4c(ccc3c2)N=C(C)C4(C)C)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(N)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(NN)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(Br)cc(C(=O)CCC)n1.Nc1ccc2cc(Br)ccc2c1.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
InChIInChI=1S/C28H30N2O2.C23H25N3O2.C23H24N2O2.C16H20BNO2.C13H16BrNO2.C12H24B2O4.C10H8BrN.C5H10O.C2H4O2.8O3S/c1-6-8-25(31)23-15-20(16-24(30-23)26(32)9-7-2)18-10-12-21-19(14-18)11-13-22-27(21)28(4,5)17(3)29-22;1-3-5-22(27)20-13-18(14-21(25-20)23(28)6-4-2)16-7-8-17-12-19(26-24)10-9-15(17)11-16;1-3-5-22(26)20-13-18(14-21(25-20)23(27)6-4-2)16-7-8-17-12-19(24)10-9-15(17)11-16;1-15(2)16(3,4)20-17(19-15)13-7-5-12-10-14(18)8-6-11(12)9-13;1-3-5-12(16)10-7-9(14)8-11(15-10)13(17)6-4-2;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-4(2)5(3)6;1-2(3)4;8*1-4(2)3/h10-16H,6-9H2,1-5H3;7-14,26H,3-6,24H2,1-2H3;7-14H,3-6,24H2,1-2H3;5-10H,18H2,1-4H3;7-8H,3-6H2,1-2H3;1-8H3;1-6H,12H2;4H,1-3H3;1H3,(H,3,4);;;;;;;;
InChIKeyLJGJCKVDOUGJIG-UHFFFAOYSA-N
XLogP23.11
TPSA836.02 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds31
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002992.55
LogP ≤ 523.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

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
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
3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167693101
tert-butyl N-[(4-bromo-2-methylphenyl)methyl]carbamate;tert-butyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161121256
6-bromonaphthalene-2-carboxylic acid;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 160725400
4-bromo-2-methylaniline;2-bromo-1,3-thiazole;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methyl-4-(1,3-thiazol-2-yl)aniline
CID 158657984
N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromo-6-naphthalen-1-ylnaphthalene;N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157345966
tert-butyl N-[6-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]carbamate;tert-butyl N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbamate;(2S)-1-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]pyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S)-2-[5-[4-(6-aminonaphthalen-2-yl)phenyl]-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159812629
4,4,5,5-tetramethyl-2-[6-(4-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(5-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165021116
N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 140776472
ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate;ethyl 5-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-1-(2-methylpropyl)pyrazole-3-carboxylate;5-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-1-(2-methylpropyl)pyrazole-3-carboxylic acid;1-[5-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-1-(2-methylpropyl)pyrazol-3-yl]butan-1-one;[2-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol;2,2,2-trifluoroethanamine
CID 158103136
potassium;(1R)-1-(3-bromophenyl)ethanol;methane;(1R)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
CID 159777435

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;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 acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159784133) is acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;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 acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;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 acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(=O)C(C)C.CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(N)ccc3c2)OC1(C)C.CCCC(=O)c1cc(-c2ccc3c4c(ccc3c2)N=C(C)C4(C)C)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(N)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(-c2ccc3cc(NN)ccc3c2)cc(C(=O)CCC)n1.CCCC(=O)c1cc(Br)cc(C(=O)CCC)n1.Nc1ccc2cc(Br)ccc2c1.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.
What is the InChIKey of acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is LJGJCKVDOUGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2.C23H25N3O2.C23H24N2O2.C16H20BNO2.C13H16BrNO2.C12H24B2O4.C10H8BrN.C5H10O.C2H4O2.8O3S/c1-6-8-25(31)23-15-20(16-24(30-23)26(32)9-7-2)18-10-12-21-19(14-18)11-13-22-27(21)28(4,5)17(3)29-22;1-3-5-22(27)20-13-18(14-21(25-20)23(28)6-4-2)16-7-8-17-12-19(26-24)10-9-15(17)11-16;1-3-5-22(26)20-13-18(14-21(25-20)23(27)6-4-2)16-7-8-17-12-19(24)10-9-15(17)11-16;1-15(2)16(3,4)20-17(19-15)13-7-5-12-10-14(18)8-6-11(12)9-13;1-3-5-12(16)10-7-9(14)8-11(15-10)13(17)6-4-2;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-3-1-8-6-10(12)4-2-7(8)5-9;1-4(2)5(3)6;1-2(3)4;8*1-4(2)3/h10-16H,6-9H2,1-5H3;7-14,26H,3-6,24H2,1-2H3;7-14H,3-6,24H2,1-2H3;5-10H,18H2,1-4H3;7-8H,3-6H2,1-2H3;1-8H3;1-6H,12H2;4H,1-3H3;1H3,(H,3,4);;;;;;;;.
What are the key properties of acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;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 2992.55 g/mol, XLogP of 23.11, 31 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[4-(6-aminonaphthalen-2-yl)-6-butanoyl-2-pyridinyl]butan-1-one;1-(4-bromo-6-butanoyl-2-pyridinyl)butan-1-one;6-bromonaphthalen-2-amine;1-[6-butanoyl-4-(6-hydrazinylnaphthalen-2-yl)-2-pyridinyl]butan-1-one;1-[6-butanoyl-4-(1,1,2-trimethylbenzo[e]indol-7-yl)-2-pyridinyl]butan-1-one;3-methylbutan-2-one;octakis(sulfur trioxide);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine;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 159784133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).