bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)

C70H95N7O2S2 — CID 158240059

IUPACbis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)
SMILESCc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C
InChIInChI=1S/4C7H9N.3C6H9N.2C6H8O.2C6H8S/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;6*1-5-3-4-7-6(5)2/h4*3-5H,1-2H3;3*3-4,7H,1-2H3;4*3-4H,1-2H3
InChIKeyGFKYHUYVKRBRSN-UHFFFAOYSA-N
MW1130.71 g/mol
LogP20.21
Rot. Bonds

About bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)

bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) (PubChem CID 158240059) has the molecular formula C70H95N7O2S2 and a molecular weight of 1130.71 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene).

Molecular Properties

Compound Namebis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)
PubChem CID158240059
Molecular FormulaC70H95N7O2S2
Molecular Weight1130.71 g/mol
Exact Mass1129.70
IUPAC Namebis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)
SMILESCc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C
InChIInChI=1S/4C7H9N.3C6H9N.2C6H8O.2C6H8S/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;6*1-5-3-4-7-6(5)2/h4*3-5H,1-2H3;3*3-4,7H,1-2H3;4*3-4H,1-2H3
InChIKeyGFKYHUYVKRBRSN-UHFFFAOYSA-N
XLogP20.21
TPSA125.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.71
LogP ≤ 520.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) with MolForge

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Related Compounds

2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-[(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine
CID 139381613
furo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[3,2-c]pyridine
CID 144345075
1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
CID 157124936
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
but-2-yne;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 157127796
benzene;furan;pentakis(3-methylbutan-2-one);pentakis(N-methylpropan-2-amine);pyridine;1H-pyrrole;thiophene
CID 157137600
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
CID 157210482
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 157291123
2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157353944

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)?
The IUPAC name of bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) (CID 158240059) is bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene).
What is the SMILES notation for bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)?
The canonical SMILES for bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) is Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.
What is the InChIKey of bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)?
The InChIKey is GFKYHUYVKRBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H9N.3C6H9N.2C6H8O.2C6H8S/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;1-5-3-7-4-6(5)2;6*1-5-3-4-7-6(5)2/h4*3-5H,1-2H3;3*3-4,7H,1-2H3;4*3-4H,1-2H3.
What are the key properties of bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)?
bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) has a molecular weight of 1130.71 g/mol, XLogP of 20.21, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene) is sourced from PubChem (CID 158240059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).