2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene

C22H18S5 — CID 101440164

IUPAC2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene
SMILESCc1sc(-c2cccs2)cc1C1=C(c2cc(-c3cccs3)sc2C)CSC1
InChIInChI=1S/C22H18S5/c1-13-15(9-21(26-13)19-5-3-7-24-19)17-11-23-12-18(17)16-10-22(27-14(16)2)20-6-4-8-25-20/h3-10H,11-12H2,1-2H3
InChIKeyGHNKDAOEXUEDCG-UHFFFAOYSA-N
MW442.72 g/mol
LogP8.54
Rot. Bonds4

About 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene

2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene (PubChem CID 101440164) has the molecular formula C22H18S5 and a molecular weight of 442.72 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene
PubChem CID101440164
Molecular FormulaC22H18S5
Molecular Weight442.72 g/mol
Exact Mass442.00
IUPAC Name2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene
SMILESCc1sc(-c2cccs2)cc1C1=C(c2cc(-c3cccs3)sc2C)CSC1
InChIInChI=1S/C22H18S5/c1-13-15(9-21(26-13)19-5-3-7-24-19)17-11-23-12-18(17)16-10-22(27-14(16)2)20-6-4-8-25-20/h3-10H,11-12H2,1-2H3
InChIKeyGHNKDAOEXUEDCG-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.72
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene (CID 101440164) is 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene is Cc1sc(-c2cccs2)cc1C1=C(c2cc(-c3cccs3)sc2C)CSC1.
What is the InChIKey of 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene?
The InChIKey is GHNKDAOEXUEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18S5/c1-13-15(9-21(26-13)19-5-3-7-24-19)17-11-23-12-18(17)16-10-22(27-14(16)2)20-6-4-8-25-20/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene?
2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene has a molecular weight of 442.72 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methyl-5-thiophen-2-ylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 101440164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).