2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline

C236H286N22O4S2 — CID 167535046

IUPAC2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.CC(C)(C)c1ncno1.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nnco1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/2C13H17N.6C13H15N.4C12H14N2.2C12H15N.2C12H14O.2C12H14S.2C6H10N2O/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h2*5-9H,1-4H3;6*4-9H,1-3H3;4*4-8H,1-3H3;2*4-8,13H,1-3H3;4*4-8H,1-3H3;2*4H,1-3H3
InChIKeyALMLHABSNWGTEC-UHFFFAOYSA-N
MW3559.17 g/mol
LogP65.38
Rot. Bonds

About 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline

2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline (PubChem CID 167535046) has the molecular formula C236H286N22O4S2 and a molecular weight of 3559.17 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline
PubChem CID167535046
Molecular FormulaC236H286N22O4S2
Molecular Weight3559.17 g/mol
Exact Mass3556.23
IUPAC Name2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.CC(C)(C)c1ncno1.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nnco1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/2C13H17N.6C13H15N.4C12H14N2.2C12H15N.2C12H14O.2C12H14S.2C6H10N2O/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h2*5-9H,1-4H3;6*4-9H,1-3H3;4*4-8H,1-3H3;2*4-8,13H,1-3H3;4*4-8H,1-3H3;2*4H,1-3H3
InChIKeyALMLHABSNWGTEC-UHFFFAOYSA-N
XLogP65.38
TPSA326.02 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003559.17
LogP ≤ 565.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butyl-1H-1,2,4-triazole
CID 157378167
2-tert-butyl-1-benzothiophene;1-tert-butyl-4-fluoronaphthalene;6-tert-butylisoquinoline;6-tert-butyl-3-methyl-1,2-benzoxazole;6-tert-butyl-1-methylindole;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;6-tert-butyl-1-phenylmethoxynaphthalene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline
CID 158320306
4-tert-butyl-8-fluoroquinoline;1-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;8-tert-butylquinoline;5-tert-butylquinoxaline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline
CID 167610785
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
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-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 159294253
6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine
CID 158512679
4-tert-butylisoquinoline;tris(1-tert-butylphthalazine);2-tert-butylquinazoline;4-propan-2-ylpyridine
CID 158657504
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 161492176
1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide
CID 161462035
2-tert-butyl-1H-indole;2-tert-butyl-1-methylindole;bis(2-tert-butyl-5-methylthiophene);methane
CID 162211973
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 159075145
2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;5-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 158084383

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline?
The IUPAC name of 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline (CID 167535046) is 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline?
The canonical SMILES for 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline is CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.CC(C)(C)c1ncno1.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nncc2ccccc12.CC(C)(C)c1nnco1.Cn1c(C(C)(C)C)cc2ccccc21.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline?
The InChIKey is ALMLHABSNWGTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17N.6C13H15N.4C12H14N2.2C12H15N.2C12H14O.2C12H14S.2C6H10N2O/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h2*5-9H,1-4H3;6*4-9H,1-3H3;4*4-8H,1-3H3;2*4-8,13H,1-3H3;4*4-8H,1-3H3;2*4H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline?
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline has a molecular weight of 3559.17 g/mol, XLogP of 65.38, 0 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;5-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline is sourced from PubChem (CID 167535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).