5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

C185H251N21O3S5 — CID 159310543

IUPAC5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/C12H17N.C12H13N.C12H14.2C11H13N.C11H12O.C10H12N2.C8H11NO.C8H13N.3C8H11N.C8H12O.C7H10N2.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-3-5-9-8(7)10;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,9,10);5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLCMDTJISRKZHNC-UHFFFAOYSA-N
MW2977.52 g/mol
LogP54.94
Rot. Bonds19

About 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene

5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (PubChem CID 159310543) has the molecular formula C185H251N21O3S5 and a molecular weight of 2977.52 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
PubChem CID159310543
Molecular FormulaC185H251N21O3S5
Molecular Weight2977.52 g/mol
Exact Mass2974.87
IUPAC Name5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/C12H17N.C12H13N.C12H14.2C11H13N.C11H12O.C10H12N2.C8H11NO.C8H13N.3C8H11N.C8H12O.C7H10N2.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-3-5-9-8(7)10;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,9,10);5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLCMDTJISRKZHNC-UHFFFAOYSA-N
XLogP54.94
TPSA332.95 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.52
LogP ≤ 554.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

2,5-dimethylfuran;1,4-dimethylpyrazole;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;2-methylpyridine;3-methylpyridine;bis(1-methylpyrrole);1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane;1,2,5-trimethylpyrrole
CID 157809555
2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;3-fluoro-1-methylpyrrolidine;(3R)-3-fluoro-1-methylpyrrolidine;(3S)-3-fluoro-1-methylpyrrolidine;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;bis(1-methylpiperidine);1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-2-(trifluoromethyl)pyridine;toluene;1,2,5-trimethylpyrrole
CID 160814217
2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,2,5-trimethylpyrrole
CID 161002411
2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;5-methyl-2-(trifluoromethyl)pyridine;toluene;1,2,5-trimethylpyrrole
CID 161510862
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[4-(1H-benzotriazol-4-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141108456
cumene;2-propan-2-ylcyclopentan-1-one;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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157062936
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1H-pyrrole;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 157153695
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(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;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157172469
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;benzene;1-benzofuran;1,3-benzothiazole;1,1'-biphenyl;ethane;4-(3-fluorophenyl)-1-methyltriazole;1H-imidazole;1H-indole;3H-indole;methane;1-methyl-4-phenyltriazole;bis(1-methyltriazole);naphthalene;piperidine;pyridine;pyrimidine;1H-pyrimidine-2,4-dione;quinoline
CID 157220548

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene (CID 159310543) is 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccco1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2ccoc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
The InChIKey is LCMDTJISRKZHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H13N.C12H14.2C11H13N.C11H12O.C10H12N2.C8H11NO.C8H13N.3C8H11N.C8H12O.C7H10N2.3C7H10S.3C6H10N2.2C6H9NS/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-3-5-9-8(7)10;1-8(2,3)7-5-4-6-9-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h4-5,8,13H,6-7H2,1-3H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,9,10);5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene?
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene has a molecular weight of 2977.52 g/mol, XLogP of 54.94, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;7-propan-2-yl-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;4-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene is sourced from PubChem (CID 159310543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).