2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene

C24H16S4 — CID 14825795

About 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene

2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene (PubChem CID 14825795) has the molecular formula C24H16S4 and a molecular weight of 432.66 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene.

Molecular Properties

• Compound Name: 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene
• PubChem CID: 14825795
• Molecular Formula: C24H16S4
• Molecular Weight: 432.66 g/mol
• Exact Mass: 432.01
• IUPAC Name: 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene
• SMILES: C(#C[C@H]1CC[C@@H]1C#Cc1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1
• InChI: InChI=1S/C24H16S4/c1-3-21(25-15-1)23-13-11-19(27-23)9-7-17-5-6-18(17)8-10-20-12-14-24(28-20)22-4-2-16-26-22/h1-4,11-18H,5-6H2/t17-,18-/m1/s1
• InChIKey: AJDPUENWMJCJEF-QZTJIDSGSA-N
• XLogP: 7.70
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.66
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene?

The IUPAC name of 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene (CID 14825795) is 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene.

What is the SMILES notation for 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene?

The canonical SMILES for 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene is C(#C[C@H]1CC[C@@H]1C#Cc1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1.

What is the InChIKey of 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene?

The InChIKey is AJDPUENWMJCJEF-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H16S4/c1-3-21(25-15-1)23-13-11-19(27-23)9-7-17-5-6-18(17)8-10-20-12-14-24(28-20)22-4-2-16-26-22/h1-4,11-18H,5-6H2/t17-,18-/m1/s1.

What are the key properties of 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene?

2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene has a molecular weight of 432.66 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-thiophen-2-yl-5-[2-[(1S,2S)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene is sourced from PubChem (CID 14825795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).