6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline

C211H261N21O6S4 — CID 158371246

IUPAC6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline
SMILESCC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cnc2c(c1)C=CC2.CC1=Cc2cc(C(C)(C)C)ccc2C1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1nnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H18.C13H17N.C13H15N.2C12H16N2.2C12H15NO.2C12H15N.C12H14O.C11H15N3.3C11H13NO.3C11H13NS.C10H12N2S/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-5-6-9-10(7-8)14(4)13-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;6*4-7H,1-3H3;4-6H,1-3H3
InChIKeyGUQGLDCHVRINQB-UHFFFAOYSA-N
MW3315.82 g/mol
LogP59.41
Rot. Bonds

About 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline

6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline (PubChem CID 158371246) has the molecular formula C211H261N21O6S4 and a molecular weight of 3315.82 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline.

Molecular Properties

Compound Name6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline
PubChem CID158371246
Molecular FormulaC211H261N21O6S4
Molecular Weight3315.82 g/mol
Exact Mass3312.96
IUPAC Name6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline
SMILESCC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cnc2c(c1)C=CC2.CC1=Cc2cc(C(C)(C)C)ccc2C1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1nnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H18.C13H17N.C13H15N.2C12H16N2.2C12H15NO.2C12H15N.C12H14O.C11H15N3.3C11H13NO.3C11H13NS.C10H12N2S/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-5-6-9-10(7-8)14(4)13-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;6*4-7H,1-3H3;4-6H,1-3H3
InChIKeyGUQGLDCHVRINQB-UHFFFAOYSA-N
XLogP59.41
TPSA331.45 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003315.82
LogP ≤ 559.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
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
CID 158633368
CID 158633368
CID 160156765
CID 160156765
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline?
The IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline (CID 158371246) is 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline.
What is the SMILES notation for 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline?
The canonical SMILES for 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline is CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cnc2c(c1)C=CC2.CC1=Cc2cc(C(C)(C)C)ccc2C1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1nnc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline?
The InChIKey is GUQGLDCHVRINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C13H17N.C13H15N.2C12H16N2.2C12H15NO.2C12H15N.C12H14O.C11H15N3.3C11H13NO.3C11H13NS.C10H12N2S/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-5-6-9-10(7-8)14(4)13-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;6*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline?
6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline has a molecular weight of 3315.82 g/mol, XLogP of 59.41, 0 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;bis(5-tert-butyl-1,3-benzothiazole);6-tert-butyl-1,3-benzothiazole;bis(5-tert-butyl-1,3-benzoxazole);6-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;5-tert-butylquinoline is sourced from PubChem (CID 158371246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).