1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene

C270H413F3N19O4S4+ — CID 158975884

IUPAC1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC(C)=C1C(C)(C)C.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cc1C.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H23N.C14H22N2.C14H18N2.C12H18O.C11H15F2NO.C11H15F.C11H14O2.C11H18.C10H16N.2C10H17N.2C10H16.C10H14.3C9H13N.3C9H14S.C9H14.2C8H14N2.3C8H13N.C8H12S/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-8-6-7-9(2)10(8)11(3,4)5;1-10(2,3)9-5-7-11(4)8-6-9;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;4*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-8H,1-4H3;2*6H2,1-5H3;2*6-7H,5H2,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;3*4,6H,5H2,1-3H3;4-6H,1-3H3/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;
InChIKeyJOJRVXFSLHOVLW-UHFFFAOYSA-N
MW4174.66 g/mol
LogP76.87
Rot. Bonds7

About 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene

1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene (PubChem CID 158975884) has the molecular formula C270H413F3N19O4S4+ and a molecular weight of 4174.66 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene.

Molecular Properties

Compound Name1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene
PubChem CID158975884
Molecular FormulaC270H413F3N19O4S4+
Molecular Weight4174.66 g/mol
Exact Mass4171.15
IUPAC Name1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC(C)=C1C(C)(C)C.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cc1C.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H23N.C14H22N2.C14H18N2.C12H18O.C11H15F2NO.C11H15F.C11H14O2.C11H18.C10H16N.2C10H17N.2C10H16.C10H14.3C9H13N.3C9H14S.C9H14.2C8H14N2.3C8H13N.C8H12S/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-8-6-7-9(2)10(8)11(3,4)5;1-10(2,3)9-5-7-11(4)8-6-9;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;4*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-8H,1-4H3;2*6H2,1-5H3;2*6-7H,5H2,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;3*4,6H,5H2,1-3H3;4-6H,1-3H3/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;
InChIKeyJOJRVXFSLHOVLW-UHFFFAOYSA-N
XLogP76.87
TPSA226.99 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds7
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004174.66
LogP ≤ 576.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-methoxybenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butylfuran;bis(4-tert-butyl-1-methylpyrazole);4-(4-tert-butylphenyl)morpholine;(4-tert-butylphenyl)-oxidoazanium;bis(4-tert-butyl-1H-pyrazole);5-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethoxy)pyridine
CID 163427508
tert-butylbenzene;2-tert-butyl-5-chlorothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;3-tert-butylfuran;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;1-tert-butyl-4-phenylbenzene;1-[(4-tert-butylphenyl)methyl]piperidine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 159675893
1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;4-tert-butyl-1-(2-methylpropyl)pyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-4-methylthiophene;1-tert-butylpiperidine;5-tert-butylpyrimidine;tetrakis(2,2-dimethylpropane);furan;naphthalene;quinoline;thiophene
CID 157374476
5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2,3-dichloropyridine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;5-tert-butyl-2,3-difluoropyridine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;bis(4-tert-butyl-2-fluoro-1-methylbenzene);3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2,4,5-trifluorobenzene;5-tert-butyl-1,2,3-trifluorobenzene
CID 159583947
4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene
CID 159573271
tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;cumene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158732338
3-bromo-2-tert-butylpyridine;2-tert-butyl-3-chloropyridine;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;3-tert-butyl-2-ethoxypyridine;2-tert-butyl-3-fluoropyridine;3-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-2-piperidin-1-ylpyridine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butyl-2-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-(3-tert-butyl-2-pyridinyl)morpholine;3-tert-butyl-2-pyrrolidin-1-ylpyridine;3-tert-butyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 162031459
1-chloro-2-fluoro-3-methylbenzene;2,4-difluoro-1-methylbenzene;2,3-dimethyl-1H-indene;2-ethoxy-4-methylphenol;3-methylphenol;3-methylpyridine;2-methylthiophene;3-methylthiophene
CID 157052230
4-benzhydrylpiperazine-1-carbaldehyde;4-(1,3-benzodioxol-5-yl)piperazine-1-carbaldehyde;4-benzylpiperazine-1-carbaldehyde;4-(2-hydroxyethyl)piperazine-1-carbaldehyde;4-methylpiperazine-1-carbaldehyde;4-pyridin-2-ylpiperazine-1-carbaldehyde;4-pyridin-4-ylpiperazine-1-carbaldehyde
CID 158866470
3-tert-butylaniline;4-tert-butylaniline;tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butylfuran;4-tert-butylmorpholine;3-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butylthiophene;methane
CID 165004766
tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158344040
1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-dichlorobenzene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylbenzene;2-tert-butylthiophene;3-tert-butylthiophene;3,3-dimethylbutan-2-ylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
CID 163488228

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene?
The IUPAC name of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene (CID 158975884) is 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene.
What is the SMILES notation for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene?
The canonical SMILES for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(F)(F)Oc1ccc(C(C)(C)C)cn1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC(C)=C1C(C)(C)C.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cc1C.C[n+]1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene?
The InChIKey is JOJRVXFSLHOVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H18N2.C12H18O.C11H15F2NO.C11H15F.C11H14O2.C11H18.C10H16N.2C10H17N.2C10H16.C10H14.3C9H13N.3C9H14S.C9H14.2C8H14N2.3C8H13N.C8H12S/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-10(2,3)8-5-6-9(14-7-8)15-11(4,12)13;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-8-6-7-9(2)10(8)11(3,4)5;1-10(2,3)9-5-7-11(4)8-6-9;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-5-9-10(4)6-7;4*1-8(2,3)7-4-5-9-6-7/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-9,11H,10H2,1-3H3;6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-8H,1-4H3;2*6H2,1-5H3;2*6-7H,5H2,1-4H3;4-8H,1-3H3;3*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;2*5-6H,1-4H3;3*4,6H,5H2,1-3H3;4-6H,1-3H3/q;;;;;;;;+1;;;;;;;;;;;;;;;;;;.
What are the key properties of 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene?
1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene has a molecular weight of 4174.66 g/mol, XLogP of 76.87, 7 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2-(1,1-difluoroethoxy)pyridine;2-tert-butyl-1,3-dimethylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;4-tert-butyl-1-methoxy-2-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;bis(4-tert-butyl-1-methylpyrazole);4-tert-butyl-1-methylpyridin-1-ium;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)piperidine;5-tert-butyl-2-piperidin-1-ylpyridine;bis(3-tert-butylpyridine);4-tert-butylpyridine;tris(4-tert-butyl-2H-pyrrole);3-tert-butylthiophene is sourced from PubChem (CID 158975884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).