2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan

C17H12OS3 — CID 14921930

IUPAC2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan
SMILESc1coc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1
InChIInChI=1S/C17H12OS3/c1-5-14(18-7-1)17-12(10-13-4-2-8-19-13)11-16(21-17)15-6-3-9-20-15/h1-9,11H,10H2
InChIKeyCVDGKSZMVHLNEP-UHFFFAOYSA-N
MW328.48 g/mol
LogP6.39
Rot. Bonds4

About 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan

2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan (PubChem CID 14921930) has the molecular formula C17H12OS3 and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan.

Molecular Properties

Compound Name2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan
PubChem CID14921930
Molecular FormulaC17H12OS3
Molecular Weight328.48 g/mol
Exact Mass328.01
IUPAC Name2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan
SMILESc1coc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1
InChIInChI=1S/C17H12OS3/c1-5-14(18-7-1)17-12(10-13-4-2-8-19-13)11-16(21-17)15-6-3-9-20-15/h1-9,11H,10H2
InChIKeyCVDGKSZMVHLNEP-UHFFFAOYSA-N
XLogP6.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
3-(furan-2-yl)-6-thiophen-2-ylpyridazine
CID 101136658
2-(10-thiophen-2-ylanthracen-9-yl)furan
CID 163364351
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
2-(furan-2-yl)thiophen-3-amine
CID 131490836
1-amino-4-(furan-2-yl)-6-thiophen-2-ylpyridin-2-one
CID 134121532
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
CID 141117900
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
2-[2-[5-[3-(carboxymethyl)-5-(3-propan-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 90929560
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
2-[11-(furan-2-yl)-4,12-dithiapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaen-3-yl]furan;7-methyl-4,10-dithiophen-2-yl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(3-methylthiophen-2-yl)-5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
CID 158747171

Frequently Asked Questions

What is the IUPAC name of 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan?
The IUPAC name of 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan (CID 14921930) is 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan.
What is the SMILES notation for 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan?
The canonical SMILES for 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan is c1coc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1.
What is the InChIKey of 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan?
The InChIKey is CVDGKSZMVHLNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12OS3/c1-5-14(18-7-1)17-12(10-13-4-2-8-19-13)11-16(21-17)15-6-3-9-20-15/h1-9,11H,10H2.
What are the key properties of 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan?
2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan has a molecular weight of 328.48 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-thiophen-2-yl-3-(thiophen-2-ylmethyl)thiophen-2-yl]furan is sourced from PubChem (CID 14921930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).