tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene

C147H223N19O3S3 — CID 157421919

IUPACtert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cncnc1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C13H15N.C11H14N2.C10H14.3C9H13N.3C8H12N2.C7H12N2.2C7H11NO.2C7H11NS.3C5H12.C4H5N.C4H4O.C4H4S/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-5(2,3)4;3*1-2-4-5-3-1/h4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;3*1-4H3;1-5H;2*1-4H
InChIKeyBPMWUPQKYSYPIM-UHFFFAOYSA-N
MW2400.73 g/mol
LogP42.57
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene

tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene (PubChem CID 157421919) has the molecular formula C147H223N19O3S3 and a molecular weight of 2400.73 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene
PubChem CID157421919
Molecular FormulaC147H223N19O3S3
Molecular Weight2400.73 g/mol
Exact Mass2398.70
IUPAC Nametert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cncnc1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C13H15N.C11H14N2.C10H14.3C9H13N.3C8H12N2.C7H12N2.2C7H11NO.2C7H11NS.3C5H12.C4H5N.C4H4O.C4H4S/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-5(2,3)4;3*1-2-4-5-3-1/h4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;3*1-4H3;1-5H;2*1-4H
InChIKeyBPMWUPQKYSYPIM-UHFFFAOYSA-N
XLogP42.57
TPSA293.03 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002400.73
LogP ≤ 542.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene with MolForge

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Related Compounds

benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;bis(3,4-dimethylpyridine);2,4-dimethylpyrimidine;ethane;9-ethylcarbazole;4-ethylpiperidine;9H-fluorene;1H-indene;isoquinoline;2-methoxy-4-methylpyridine;9-methylacridine;bis(5-methyl-1H-imidazole);2-methyl-1H-indene;2-methyl-1,3-oxazole;5-methyl-1,10-phenanthroline;4-methylpiperidine;2-methylpyrazine;4-methylpyridine;3-methyl-1H-pyrrole;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;4-methyl-2-(trifluoromethyl)pyridine;7H-purine;pyrazine;1H-pyrazolo[3,4-d]pyrimidine;pyrimidine;1H-pyrimidin-6-one;quinoline;quinoxaline;2,4,6-trimethylpyridine
CID 161592453
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 161693883
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)-5-(1,8-naphthyridin-2-yl)-1-(1,2-oxazol-3-yl)-6-quinoxalin-2-yl-3H-indol-7-yl]-1,3-oxazole
CID 141422699

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene (CID 157421919) is tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cncnc1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.c1cc[nH]c1.c1ccoc1.c1ccsc1.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene?
The InChIKey is BPMWUPQKYSYPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H14N2.C10H14.3C9H13N.3C8H12N2.C7H12N2.2C7H11NO.2C7H11NS.3C5H12.C4H5N.C4H4O.C4H4S/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;3*1-5(2,3)4;3*1-2-4-5-3-1/h4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;3*1-4H3;1-5H;2*1-4H.
What are the key properties of tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene?
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene has a molecular weight of 2400.73 g/mol, XLogP of 42.57, 0 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;7-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;tris(2,2-dimethylpropane);furan;1H-pyrrole;thiophene is sourced from PubChem (CID 157421919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).