1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline

C197H270N10O6S2 — CID 164982286

IUPAC1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline
SMILESCC(C)(C)c1cccnc1C(C)(C)C.CC(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)(C)C.CC(C)c1cc2cccnc2cc1C(C)(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H22.C16H21N.C15H22O2.C14H18N2.2C14H19N.C14H20O2.C14H18O.C14H18S.C13H18N2.C13H17NO.C13H17NS.C13H21N.C13H20/c1-12(2)15-10-13-8-6-7-9-14(13)11-16(15)17(3,4)5;1-11(2)13-9-12-7-6-8-17-15(12)10-14(13)16(3,4)5;1-10(2)11-8-13-14(17-7-6-16-13)9-12(11)15(3,4)5;1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)10-6-12-13(16-8-15-12)7-11(10)14(3,4)5;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5/h6-12H,1-5H3;6-11H,1-5H3;8-10H,6-7H2,1-5H3;5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;6-7,9H,8H2,1-5H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-9H,1-6H3;6-10H,1-5H3
InChIKeyFQWYLORBVNEVNI-UHFFFAOYSA-N
MW2938.52 g/mol
LogP59.83
Rot. Bonds21

About 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline

1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline (PubChem CID 164982286) has the molecular formula C197H270N10O6S2 and a molecular weight of 2938.52 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline
PubChem CID164982286
Molecular FormulaC197H270N10O6S2
Molecular Weight2938.52 g/mol
Exact Mass2936.06
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline
SMILESCC(C)(C)c1cccnc1C(C)(C)C.CC(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)(C)C.CC(C)c1cc2cccnc2cc1C(C)(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H22.C16H21N.C15H22O2.C14H18N2.2C14H19N.C14H20O2.C14H18O.C14H18S.C13H18N2.C13H17NO.C13H17NS.C13H21N.C13H20/c1-12(2)15-10-13-8-6-7-9-14(13)11-16(15)17(3,4)5;1-11(2)13-9-12-7-6-8-17-15(12)10-14(13)16(3,4)5;1-10(2)11-8-13-14(17-7-6-16-13)9-12(11)15(3,4)5;1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)10-6-12-13(16-8-15-12)7-11(10)14(3,4)5;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5/h6-12H,1-5H3;6-11H,1-5H3;8-10H,6-7H2,1-5H3;5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;6-7,9H,8H2,1-5H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-9H,1-6H3;6-10H,1-5H3
InChIKeyFQWYLORBVNEVNI-UHFFFAOYSA-N
XLogP59.83
TPSA197.37 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002938.52
LogP ≤ 559.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethenylbenzene;1-tert-butyl-4-ethoxybenzene;bis(1-tert-butyl-4-ethylsulfanylbenzene);2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-4-methylsulfanylbenzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;1-tert-butyl-4-propan-2-ylsulfanylbenzene;3-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole;methyl 4-tert-butylbenzoate
CID 160943749
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-2,1,3-benzoxadiazole;bis(4,7-di(propan-2-yl)-1,3-benzoxazole);bis(4,7-di(propan-2-yl)-2,1-benzoxazole);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one)
CID 161320233
2,2-difluoro-5-methyl-1,3-benzodioxole;ethane;5-methyl-1,3-benzodioxole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-4H-1,4-benzoxazin-3-one;7-methyl-4H-1,4-benzoxazin-3-one;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methyl-2H-chromene;7-methyl-2H-chromene;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-1,4-benzoxazin-2-one;7-methyl-3,4-dihydro-1,4-benzoxazin-2-one;6-methyl-3,4-dihydro-2H-chromene;7-methyl-3,4-dihydro-2H-chromene;1-methylnaphthalene;2-methylnaphthalene;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2,2,3,3-tetrafluoro-6-methyl-1,4-benzodioxine
CID 161427636
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161505078
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161514862
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline (CID 164982286) is 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline is CC(C)(C)c1cccnc1C(C)(C)C.CC(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)(C)C.CC(C)c1cc2cccnc2cc1C(C)(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline?
The InChIKey is FQWYLORBVNEVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C16H21N.C15H22O2.C14H18N2.2C14H19N.C14H20O2.C14H18O.C14H18S.C13H18N2.C13H17NO.C13H17NS.C13H21N.C13H20/c1-12(2)15-10-13-8-6-7-9-14(13)11-16(15)17(3,4)5;1-11(2)13-9-12-7-6-8-17-15(12)10-14(13)16(3,4)5;1-10(2)11-8-13-14(17-7-6-16-13)9-12(11)15(3,4)5;1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)10-6-12-13(16-8-15-12)7-11(10)14(3,4)5;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5/h6-12H,1-5H3;6-11H,1-5H3;8-10H,6-7H2,1-5H3;5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;5-10,15H,1-4H3;6-7,9H,8H2,1-5H3;2*5-10H,1-4H3;5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;7-9H,1-6H3;6-10H,1-5H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline?
1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline has a molecular weight of 2938.52 g/mol, XLogP of 59.83, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline is sourced from PubChem (CID 164982286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).