2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

C21H14S5 — CID 54484570

IUPAC2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C21H14S5/c1-13-4-5-16(23-13)17-8-9-20(25-17)21-11-10-19(26-21)18-7-6-15(24-18)14-3-2-12-22-14/h2-12H,1H3
InChIKeyXRKBNXATYILNLC-UHFFFAOYSA-N
MW426.68 g/mol
LogP8.97
Rot. Bonds4

About 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 54484570) has the molecular formula C21H14S5 and a molecular weight of 426.68 g/mol. Its IUPAC name is 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID54484570
Molecular FormulaC21H14S5
Molecular Weight426.68 g/mol
Exact Mass425.97
IUPAC Name2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C21H14S5/c1-13-4-5-16(23-13)17-8-9-20(25-17)21-11-10-19(26-21)18-7-6-15(24-18)14-3-2-12-22-14/h2-12H,1H3
InChIKeyXRKBNXATYILNLC-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 54484570) is 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1.
What is the InChIKey of 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is XRKBNXATYILNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14S5/c1-13-4-5-16(23-13)17-8-9-20(25-17)21-11-10-19(26-21)18-7-6-15(24-18)14-3-2-12-22-14/h2-12H,1H3.
What are the key properties of 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 426.68 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 54484570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).