2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene

C34H46O5S4 — CID 100949175

About 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene

2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene (PubChem CID 100949175) has the molecular formula C34H46O5S4 and a molecular weight of 663.01 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene.

Molecular Properties

• Compound Name: 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene
• PubChem CID: 100949175
• Molecular Formula: C34H46O5S4
• Molecular Weight: 663.01 g/mol
• Exact Mass: 662.22
• IUPAC Name: 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene
• SMILES: c1csc(-c2sccc2CCCCCOCCOCCOCCOCCOCCCCCc2ccsc2-c2cccs2)c1
• InChI: InChI=1S/C34H46O5S4/c1(3-9-29-13-27-42-33(29)31-11-7-25-40-31)5-15-35-17-19-37-21-23-39-24-22-38-20-18-36-16-6-2-4-10-30-14-28-43-34(30)32-12-8-26-41-32/h7-8,11-14,25-28H,1-6,9-10,15-24H2
• InChIKey: SFTVDUZYTFOPHW-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 46.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.01
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene?

The IUPAC name of 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene (CID 100949175) is 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene.

What is the SMILES notation for 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene?

The canonical SMILES for 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene is c1csc(-c2sccc2CCCCCOCCOCCOCCOCCOCCCCCc2ccsc2-c2cccs2)c1.

What is the InChIKey of 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene?

The InChIKey is SFTVDUZYTFOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O5S4/c1(3-9-29-13-27-42-33(29)31-11-7-25-40-31)5-15-35-17-19-37-21-23-39-24-22-38-20-18-36-16-6-2-4-10-30-14-28-43-34(30)32-12-8-26-41-32/h7-8,11-14,25-28H,1-6,9-10,15-24H2.

What are the key properties of 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene?

2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene has a molecular weight of 663.01 g/mol, XLogP of 9.48, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene is sourced from PubChem (CID 100949175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).