bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene

C68H116N4O2S2 — CID 158974941

IUPACbis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1nccnc1C
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.2C6H8O.2C6H8S.8C2H6/c1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-5-3-4-7-6(5)2;8*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;4*3-4H,1-2H3;8*1-2H3
InChIKeyJOGVJQWQRGEUCR-UHFFFAOYSA-N
MW1085.84 g/mol
LogP23.53
Rot. Bonds

About bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene

bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene (PubChem CID 158974941) has the molecular formula C68H116N4O2S2 and a molecular weight of 1085.84 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene.

Molecular Properties

Compound Namebis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene
PubChem CID158974941
Molecular FormulaC68H116N4O2S2
Molecular Weight1085.84 g/mol
Exact Mass1084.85
IUPAC Namebis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1nccnc1C
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.2C6H8O.2C6H8S.8C2H6/c1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-5-3-4-7-6(5)2;8*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;4*3-4H,1-2H3;8*1-2H3
InChIKeyJOGVJQWQRGEUCR-UHFFFAOYSA-N
XLogP23.53
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.84
LogP ≤ 523.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
4-Tert-butyl-2-chloro-6-methylpyridine;5-tert-butyl-2-(1,1-difluoroethyl)pyridine;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-2-methylfuran;4-tert-butyl-2-methylthiophene;methane
CID 158755498
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
5-[5-[7-[5-(5-Methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 122502666
6-(5-methylfuran-3-yl)sulfanyl-N-phenyl-4-thiophen-3-ylpyridin-3-amine
CID 122526729
[2-[4-Formyloxy-6-[4-[5-(7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
CID 129061537
6-benzyl-4-(furan-2-yl)-1-phenyl-2-pyridin-2-yl-5-thiophen-2-yl-2H-pyrimidine
CID 141008291
2,3-Bis[furan-2-yl(thiophen-2-yl)methyl]pyridine
CID 141174094
3-[2-(Furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
CID 141203724

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The IUPAC name of bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene (CID 158974941) is bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene.
What is the SMILES notation for bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The canonical SMILES for bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1nccnc1C.
What is the InChIKey of bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The InChIKey is JOGVJQWQRGEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.C6H8N2.2C6H8O.2C6H8S.8C2H6/c1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-5-3-4-7-6(5)2;8*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;4*3-4H,1-2H3;8*1-2H3.
What are the key properties of bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene has a molecular weight of 1085.84 g/mol, XLogP of 23.53, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene is sourced from PubChem (CID 158974941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).