3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C159H207N21OS2 — CID 159155039

IUPAC3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1c[nH]c2ccncc12.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2c1CCNC2.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1n[nH]c2c1CNCC2.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/C13H15N.C12H15N.C12H17N.C12H15N.C12H14S.6C11H14N2.C11H13NO.C11H17NS.C10H17N3/c1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9/h4-9H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;7,12H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKJTYSUIMEVPFIM-UHFFFAOYSA-N
MW2492.68 g/mol
LogP41.38
Rot. Bonds

About 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 159155039) has the molecular formula C159H207N21OS2 and a molecular weight of 2492.68 g/mol. Its IUPAC name is 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID159155039
Molecular FormulaC159H207N21OS2
Molecular Weight2492.68 g/mol
Exact Mass2490.62
IUPAC Name3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1c[nH]c2ccncc12.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2c1CCNC2.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1n[nH]c2c1CNCC2.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/C13H15N.C12H15N.C12H17N.C12H15N.C12H14S.6C11H14N2.C11H13NO.C11H17NS.C10H17N3/c1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9/h4-9H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;7,12H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKJTYSUIMEVPFIM-UHFFFAOYSA-N
XLogP41.38
TPSA275.80 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.68
LogP ≤ 541.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Related Compounds

CID 159320113
CID 159320113
CID 167564541
CID 167564541
3-[6-(1,2,3-benzothiadiazol-4-yl)-2-(1-benzothiophen-2-yl)-1-(2H-isoindol-1-yl)purin-8-yl]-1,2-benzoxazole
CID 141042257
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;bis(1H-indazole);1H-indole;indolizine;2H-isoindole;7H-purine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 157189729
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 159155039) is 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1c[nH]c2ccncc12.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2c1CCNC2.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1n[nH]c2c1CNCC2.CC(C)(C)c1noc2ccccc12.
What is the InChIKey of 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is KJTYSUIMEVPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H15N.C12H17N.C12H15N.C12H14S.6C11H14N2.C11H13NO.C11H17NS.C10H17N3/c1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-7-13-10-4-5-12-6-8(9)10;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)9-7-13-10-6-12-5-4-8(9)10;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9/h4-9H,1-3H3;4-8,13H,1-3H3;4-7H,8-9H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;7,12H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 2492.68 g/mol, XLogP of 41.38, 0 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;1-tert-butyl-2,3-dihydroindole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 159155039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).