bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one

C243H357FN18O7S — CID 157165451

IUPACbis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one
SMILESC=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C12H17NO.C11H17NO2S.C11H16O.3C11H16.C10H13F.2C10H15NO.9C10H15N.2C10H14.C9H14N2.C9H13NO.2C9H13N/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;4*1-8-5-6-9(7-11-8)10(2,3)4;5*1-8-5-6-9(11-7-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;2*1-9(2,3)8-5-4-6-10-7-8/h5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;3*5-7H,1-4H3;5-7,11H,1H2,2-4H3;5*5-7H,1-4H3;2*4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3
InChIKeyAMVXZWVSFZBOEZ-UHFFFAOYSA-N
MW3693.71 g/mol
LogP62.34
Rot. Bonds5

About bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one

bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one (PubChem CID 157165451) has the molecular formula C243H357FN18O7S and a molecular weight of 3693.71 g/mol. Its IUPAC name is bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Namebis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one
PubChem CID157165451
Molecular FormulaC243H357FN18O7S
Molecular Weight3693.71 g/mol
Exact Mass3690.78
IUPAC Namebis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one
SMILESC=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C12H17NO.C11H17NO2S.C11H16O.3C11H16.C10H13F.2C10H15NO.9C10H15N.2C10H14.C9H14N2.C9H13NO.2C9H13N/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;4*1-8-5-6-9(7-11-8)10(2,3)4;5*1-8-5-6-9(11-7-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;2*1-9(2,3)8-5-4-6-10-7-8/h5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;3*5-7H,1-4H3;5-7,11H,1H2,2-4H3;5*5-7H,1-4H3;2*4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3
InChIKeyAMVXZWVSFZBOEZ-UHFFFAOYSA-N
XLogP62.34
TPSA328.40 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003693.71
LogP ≤ 562.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidine;[3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]methanamine;[4-[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]piperidin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidine;ethane;bis(4-(isocyanomethyl)-N,4-dimethylcyclohexan-1-amine)
CID 160053174
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-N-[[4-[5-[[2-(4-methylsulfonylphenyl)ethylamino]methyl]-2-pyridinyl]phenyl]methyl]-4-oxobutanamide
CID 44536248
tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane
CID 157105377
2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
CID 157336262
2-[2-(benzamidomethyl)phenyl]-N-(3-methylbutyl)benzamide;2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[(benzylsulfonylamino)methyl]phenyl]-N-[(3-methylphenyl)methyl]benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;(4-methoxyphenyl) N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 157494402
2-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-1-[6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoro-2-pyridinyl]ethanone;2-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-1-[6-(2,6-difluoro-4-propan-2-ylphenyl)-5-fluoro-2-pyridinyl]ethanone;2-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-1-[6-[4-(1,1-dioxothian-4-yl)-2,6-difluorophenyl]-5-fluoro-2-pyridinyl]ethanone
CID 157635264
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
CID 157759812
1-Tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
CID 158076909
(2S)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;1-[4-(13-methyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 158526730
2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine
CID 158662079
1-[6-(4-ethoxyphenyl)-1-hydroxypyridin-1-ium-3-yl]-4-(3-methylphenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;2-[4-(1-hydroxypyridin-1-ium-4-yl)phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide
CID 158843135
1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)pyridine;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;1,3-ditert-butylbenzene;2,4-ditert-butylpyridine;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
CID 158848467

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The IUPAC name of bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one (CID 157165451) is bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The canonical SMILES for bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one is C=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The InChIKey is AMVXZWVSFZBOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C11H17NO2S.C11H16O.3C11H16.C10H13F.2C10H15NO.9C10H15N.2C10H14.C9H14N2.C9H13NO.2C9H13N/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;4*1-8-5-6-9(7-11-8)10(2,3)4;5*1-8-5-6-9(11-7-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;2*1-9(2,3)8-5-4-6-10-7-8/h5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;3*5-7H,1-4H3;5-7,11H,1H2,2-4H3;5*5-7H,1-4H3;2*4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3.
What are the key properties of bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one has a molecular weight of 3693.71 g/mol, XLogP of 62.34, 5 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 157165451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).