2-(3,5-dithiophen-2-ylphenyl)thiophene

C18H12S3 — CID 4121433

IUPAC2-(3,5-dithiophen-2-ylphenyl)thiophene
SMILESc1csc(-c2cc(-c3cccs3)cc(-c3cccs3)c2)c1
InChIInChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H
InChIKeyUBHPRZXDFVCNHZ-UHFFFAOYSA-N
MW324.50 g/mol
LogP6.87
Rot. Bonds3

About 2-(3,5-dithiophen-2-ylphenyl)thiophene

2-(3,5-dithiophen-2-ylphenyl)thiophene (PubChem CID 4121433) has the molecular formula C18H12S3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 2-(3,5-dithiophen-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-(3,5-dithiophen-2-ylphenyl)thiophene
PubChem CID4121433
Molecular FormulaC18H12S3
Molecular Weight324.50 g/mol
Exact Mass324.01
IUPAC Name2-(3,5-dithiophen-2-ylphenyl)thiophene
SMILESc1csc(-c2cc(-c3cccs3)cc(-c3cccs3)c2)c1
InChIInChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H
InChIKeyUBHPRZXDFVCNHZ-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dithiophen-2-ylphenyl)thiophene?
The IUPAC name of 2-(3,5-dithiophen-2-ylphenyl)thiophene (CID 4121433) is 2-(3,5-dithiophen-2-ylphenyl)thiophene.
What is the SMILES notation for 2-(3,5-dithiophen-2-ylphenyl)thiophene?
The canonical SMILES for 2-(3,5-dithiophen-2-ylphenyl)thiophene is c1csc(-c2cc(-c3cccs3)cc(-c3cccs3)c2)c1.
What is the InChIKey of 2-(3,5-dithiophen-2-ylphenyl)thiophene?
The InChIKey is UBHPRZXDFVCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H.
What are the key properties of 2-(3,5-dithiophen-2-ylphenyl)thiophene?
2-(3,5-dithiophen-2-ylphenyl)thiophene has a molecular weight of 324.50 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dithiophen-2-ylphenyl)thiophene is sourced from PubChem (CID 4121433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).