bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

C291H551N25O8S7 — CID 157354680

IUPACbis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C14H18O.C14H18S.C9H9N.2C8H6O.2C8H6S.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H4O.C4H4S.42C4H10.C3H5N3.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S/c2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;42*1-4(2)3;1-6-2-4-5-3-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*5-10H,1-4H3;2-7H,1H3;4*1-6H;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;2*1-4H;42*4H,1-3H3;2-3H,1H3;3*1-3H;4*1-2H
InChIKeyBHYDNZIWTABVNC-UHFFFAOYSA-N
MW4753.24 g/mol
LogP102.94
Rot. Bonds4

About bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 157354680) has the molecular formula C291H551N25O8S7 and a molecular weight of 4753.24 g/mol. Its IUPAC name is bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID157354680
Molecular FormulaC291H551N25O8S7
Molecular Weight4753.24 g/mol
Exact Mass4749.15
IUPAC Namebis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C14H18O.C14H18S.C9H9N.2C8H6O.2C8H6S.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H4O.C4H4S.42C4H10.C3H5N3.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S/c2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;42*1-4(2)3;1-6-2-4-5-3-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*5-10H,1-4H3;2-7H,1H3;4*1-6H;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;2*1-4H;42*4H,1-3H3;2-3H,1H3;3*1-3H;4*1-2H
InChIKeyBHYDNZIWTABVNC-UHFFFAOYSA-N
XLogP102.94
TPSA387.57 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds4
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004753.24
LogP ≤ 5102.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole
CID 158933644
CID 159108040
CID 159108040
CID 159235762
CID 159235762
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159414944
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
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
3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;3-phenyl-2-propan-2-ylfuran;1-phenyl-2-propan-2-ylimidazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-4-propan-2-yl-2H-pyrrole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-1-propan-2-yl-1,2,4-triazole;(2-propan-2-ylcyclopenta-1,4-dien-1-yl)benzene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 160240744
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);2-fluoro-3-methylpyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;bis(2-methylpyridine);tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;1-propylpyrazole;pyridin-2-amine;1H-pyrido[3,4-b][1,4]thiazine;4-(trifluoromethyl)pyridine
CID 160409954
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232

Frequently Asked Questions

What is the IUPAC name of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 157354680) is bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cnnc1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is BHYDNZIWTABVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C14H18S.C9H9N.2C8H6O.2C8H6S.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H4O.C4H4S.42C4H10.C3H5N3.2C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S/c2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-10-7-6-8-4-2-3-5-9(8)10;4*1-2-4-8-7(3-1)5-6-9-8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;42*1-4(2)3;1-6-2-4-5-3-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*5-10H,1-4H3;2-7H,1H3;4*1-6H;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;2*1-4H;42*4H,1-3H3;2-3H,1H3;3*1-3H;4*1-2H.
What are the key properties of bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?
bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 4753.24 g/mol, XLogP of 102.94, 4 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157354680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).