2,5-bis(2-phenylethynyl)thiophene

C20H12S — CID 14454664

IUPAC2,5-bis(2-phenylethynyl)thiophene
SMILESC(#Cc1ccc(C#Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H12S/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H
InChIKeyRYEUCWVLPGWHQO-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.55
Rot. Bonds

About 2,5-bis(2-phenylethynyl)thiophene

2,5-bis(2-phenylethynyl)thiophene (PubChem CID 14454664) has the molecular formula C20H12S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,5-bis(2-phenylethynyl)thiophene.

Molecular Properties

Compound Name2,5-bis(2-phenylethynyl)thiophene
PubChem CID14454664
Molecular FormulaC20H12S
Molecular Weight284.38 g/mol
Exact Mass284.07
IUPAC Name2,5-bis(2-phenylethynyl)thiophene
SMILESC(#Cc1ccc(C#Cc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H12S/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H
InChIKeyRYEUCWVLPGWHQO-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-phenylethynyl)thiophene?
The IUPAC name of 2,5-bis(2-phenylethynyl)thiophene (CID 14454664) is 2,5-bis(2-phenylethynyl)thiophene.
What is the SMILES notation for 2,5-bis(2-phenylethynyl)thiophene?
The canonical SMILES for 2,5-bis(2-phenylethynyl)thiophene is C(#Cc1ccc(C#Cc2ccccc2)s1)c1ccccc1.
What is the InChIKey of 2,5-bis(2-phenylethynyl)thiophene?
The InChIKey is RYEUCWVLPGWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12S/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H.
What are the key properties of 2,5-bis(2-phenylethynyl)thiophene?
2,5-bis(2-phenylethynyl)thiophene has a molecular weight of 284.38 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-phenylethynyl)thiophene is sourced from PubChem (CID 14454664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).