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

C26H18S6 — CID 59476051

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

3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene (PubChem CID 59476051) has the molecular formula C26H18S6 and a molecular weight of 522.83 g/mol. Its IUPAC name is 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene.

Molecular Properties

• Compound Name: 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
• PubChem CID: 59476051
• Molecular Formula: C26H18S6
• Molecular Weight: 522.83 g/mol
• Exact Mass: 521.97
• IUPAC Name: 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
• SMILES: Cc1cc(-c2cccs2)sc1-c1ccc(-c2ccc(-c3sc(-c4cccs4)cc3C)s2)s1
• InChI: InChI=1S/C26H18S6/c1-15-13-23(17-5-3-11-27-17)31-25(15)21-9-7-19(29-21)20-8-10-22(30-20)26-16(2)14-24(32-26)18-6-4-12-28-18/h3-14H,1-2H3
• InChIKey: QWMHVQVNONUYST-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.83
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?

The IUPAC name of 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene (CID 59476051) is 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene.

What is the SMILES notation for 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?

The canonical SMILES for 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene is Cc1cc(-c2cccs2)sc1-c1ccc(-c2ccc(-c3sc(-c4cccs4)cc3C)s2)s1.

What is the InChIKey of 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?

The InChIKey is QWMHVQVNONUYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S6/c1-15-13-23(17-5-3-11-27-17)31-25(15)21-9-7-19(29-21)20-8-10-22(30-20)26-16(2)14-24(32-26)18-6-4-12-28-18/h3-14H,1-2H3.

What are the key properties of 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?

3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene has a molecular weight of 522.83 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 59476051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).