tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene

C206H325N19O6S4 — CID 157349581

IUPACtert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)CCN1CCCCC1.CC(C)(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CC(C)c1ccc(C(C)(C)C)cn1.CC(Cc1ccccc1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.C[C@H](c1ccccc1)C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.O=C=O
InChIInChI=1S/C15H24N2.C14H17N.C13H23N3.C13H20.C12H19N.C12H16O2.2C12H18.C11H23N.C10H15NO.C10H21N.C10H14.C9H13N.C9H14S.C8H14N2.C8H13N.C7H11NO.2C7H11NS.C6H10N2S.CO2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-11(13(2,3)4)10-12-8-6-5-7-9-12;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;2*1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;2-1-3/h5-8H,9-12H2,1-4H3;4-10,15H,1-3H3;9-10,12H,5-8H2,1-4H3;5-9,11H,10H2,1-4H3;6-9H,1-5H3;5-8H,1-4H3;2*5-10H,1-4H3;4-10H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4,6H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;/t;;;;;;10-;;;;;;;;;;;;;;/m......1............../s1
InChIKeyBHJISERNYIFIBP-RDPOFEPESA-N
MW3292.26 g/mol
LogP55.27
Rot. Bonds12

About tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene

tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene (PubChem CID 157349581) has the molecular formula C206H325N19O6S4 and a molecular weight of 3292.26 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
PubChem CID157349581
Molecular FormulaC206H325N19O6S4
Molecular Weight3292.26 g/mol
Exact Mass3289.46
IUPAC Nametert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)CCN1CCCCC1.CC(C)(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CC(C)c1ccc(C(C)(C)C)cn1.CC(Cc1ccccc1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.C[C@H](c1ccccc1)C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.O=C=O
InChIInChI=1S/C15H24N2.C14H17N.C13H23N3.C13H20.C12H19N.C12H16O2.2C12H18.C11H23N.C10H15NO.C10H21N.C10H14.C9H13N.C9H14S.C8H14N2.C8H13N.C7H11NO.2C7H11NS.C6H10N2S.CO2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-11(13(2,3)4)10-12-8-6-5-7-9-12;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;2*1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;2-1-3/h5-8H,9-12H2,1-4H3;4-10,15H,1-3H3;9-10,12H,5-8H2,1-4H3;5-9,11H,10H2,1-4H3;6-9H,1-5H3;5-8H,1-4H3;2*5-10H,1-4H3;4-10H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4,6H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;/t;;;;;;10-;;;;;;;;;;;;;;/m......1............../s1
InChIKeyBHJISERNYIFIBP-RDPOFEPESA-N
XLogP55.27
TPSA265.92 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003292.26
LogP ≤ 555.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene with MolForge

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Related Compounds

N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 161080366
N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiophene-2-carbonylamino)butan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 167601602
5-(3-aminopropyl)-3-methyl-8-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157754421
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate
CID 158861855
tert-butylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methane;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
CID 160020096
5-tert-butyl-2,3-dihydro-1,3-oxazole;tris(1,2-ditert-butylcyclohexane);1,2-ditert-butylcyclopenta-1,3-diene;1,2-ditert-butylcyclopentene;4,5-ditert-butyl-2,3-dihydrofuran;4,5-ditert-butyl-2,3-dihydro-1H-pyrrole;4,5-ditert-butyl-2,3-dihydro-1,3-thiazole;4,5-ditert-butyl-2,3-dihydrothiophene;2,3-ditert-butylfuran;4,5-ditert-butyl-1,3-oxazole;bis(1,2-ditert-butylpiperidine);2,3-ditert-butylpiperidine;1,5-ditert-butylpyrazole;bis(1,2-ditert-butylpyrrole);tris(4,5-ditert-butyl-2H-pyrrole);4,5-ditert-butyl-3H-pyrrole;4,5-ditert-butyl-1,3-thiazole;2,3-ditert-butylthiophene;propane
CID 160383939
1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);1,4-di(propan-2-yl)piperazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole
CID 160475332
tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160672540
tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;1-(4-ethylphenyl)-4-methylpiperazine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
CID 161013005
Benzenethiolate;bis(chloropalladium(1+));2-[3-(3,5-dimethylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-4-phenyl-1,3-oxazole;di(propan-2-yl)azanide;bis(palladium(2+));2-phenyl-5-[3-(4-phenylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
CID 161225477
Cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-yltriazole;propan-2-ylcyclohexane;bis(2-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;2-propan-2-yltriazole
CID 161331256
Benzenethiolate;bis(chloroplatinum(1+));2-[3-(3,5-dimethylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-4-phenyl-1,3-oxazole;di(propan-2-yl)azanide;2-phenyl-5-[3-(4-phenylpyrazol-1-yl)-5-pyridin-2-yloxybenzene-4-id-1-yl]-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole;bis(platinum(2+))
CID 162119469

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene?
The IUPAC name of tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene (CID 157349581) is tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene is CC(C)(C)C1=CCN=C1.CC(C)(C)CCN1CCCCC1.CC(C)(C)c1ccc(-c2cc[nH]c2)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CC(C)c1ccc(C(C)(C)C)cn1.CC(Cc1ccccc1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.CN1CCC(C(C)(C)C)CC1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cn1.C[C@H](c1ccccc1)C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.O=C=O.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene?
The InChIKey is BHJISERNYIFIBP-RDPOFEPESA-N. The full InChI is InChI=1S/C15H24N2.C14H17N.C13H23N3.C13H20.C12H19N.C12H16O2.2C12H18.C11H23N.C10H15NO.C10H21N.C10H14.C9H13N.C9H14S.C8H14N2.C8H13N.C7H11NO.2C7H11NS.C6H10N2S.CO2/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-11(13(2,3)4)10-12-8-6-5-7-9-12;1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;2*1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;2-1-3/h5-8H,9-12H2,1-4H3;4-10,15H,1-3H3;9-10,12H,5-8H2,1-4H3;5-9,11H,10H2,1-4H3;6-9H,1-5H3;5-8H,1-4H3;2*5-10H,1-4H3;4-10H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;4-7H,1-3H3;2*5-6H,1-4H3;4,6H,5H2,1-3H3;3*4-5H,1-3H3;4H,1-3H3;/t;;;;;;10-;;;;;;;;;;;;;;/m......1............../s1.
What are the key properties of tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene?
tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene has a molecular weight of 3292.26 g/mol, XLogP of 55.27, 12 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene is sourced from PubChem (CID 157349581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).