2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole

C32H37NOS — CID 91168848

IUPAC2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole
SMILESCc1cc(-c2ccccc2)oc1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C)c1C
InChIInChI=1S/C12H12O.C12H12S.C8H13N/c2*1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-6-5-7(2)9(4)8(6)3/h2*3-8H,1-2H3;5H,1-4H3
InChIKeyWLOGQHPSDWSGQL-UHFFFAOYSA-N
MW483.72 g/mol
LogP9.55
Rot. Bonds2

About 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole

2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole (PubChem CID 91168848) has the molecular formula C32H37NOS and a molecular weight of 483.72 g/mol. Its IUPAC name is 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole.

Molecular Properties

Compound Name2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole
PubChem CID91168848
Molecular FormulaC32H37NOS
Molecular Weight483.72 g/mol
Exact Mass483.26
IUPAC Name2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole
SMILESCc1cc(-c2ccccc2)oc1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C)c1C
InChIInChI=1S/C12H12O.C12H12S.C8H13N/c2*1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-6-5-7(2)9(4)8(6)3/h2*3-8H,1-2H3;5H,1-4H3
InChIKeyWLOGQHPSDWSGQL-UHFFFAOYSA-N
XLogP9.55
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.72
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
4-(5-Chlorofuran-2-yl)-2-(5-chlorothiophen-2-yl)-6-(4-methylphenyl)pyridine
CID 46229651
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946
4-(5-Methylfuran-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224771
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809
4-(5-Methylfuran-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224811
4-(Furan-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224849
4-(Furan-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224851
4-(5-Methylfuran-2-yl)-2,6-dithiophen-2-ylpyridine
CID 46224853
4-(5-Methylfuran-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224886
4-(5-Methylfuran-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 46224887
4-(Furan-2-yl)-2,6-bis(3-methylthiophen-2-yl)pyridine
CID 46224888

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole?
The IUPAC name of 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole (CID 91168848) is 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole.
What is the SMILES notation for 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole?
The canonical SMILES for 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole is Cc1cc(-c2ccccc2)oc1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C)c1C.
What is the InChIKey of 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole?
The InChIKey is WLOGQHPSDWSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C12H12S.C8H13N/c2*1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-6-5-7(2)9(4)8(6)3/h2*3-8H,1-2H3;5H,1-4H3.
What are the key properties of 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole?
2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole has a molecular weight of 483.72 g/mol, XLogP of 9.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-phenylfuran;2,3-dimethyl-5-phenylthiophene;1,2,3,5-tetramethylpyrrole is sourced from PubChem (CID 91168848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).