2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene

C18H12S2 — CID 824513

IUPAC2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
SMILESc1csc(-c2ccc(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C18H12S2/c1-2-6-14-13(5-1)15(17-7-3-11-19-17)9-10-16(14)18-8-4-12-20-18/h1-12H
InChIKeyZSIJUXOIEHXKQE-UHFFFAOYSA-N
MW292.43 g/mol
LogP6.30
Rot. Bonds2

About 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene

2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene (PubChem CID 824513) has the molecular formula C18H12S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene.

Molecular Properties

Compound Name2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
PubChem CID824513
Molecular FormulaC18H12S2
Molecular Weight292.43 g/mol
Exact Mass292.04
IUPAC Name2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
SMILESc1csc(-c2ccc(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C18H12S2/c1-2-6-14-13(5-1)15(17-7-3-11-19-17)9-10-16(14)18-8-4-12-20-18/h1-12H
InChIKeyZSIJUXOIEHXKQE-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene?
The IUPAC name of 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene (CID 824513) is 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene.
What is the SMILES notation for 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene?
The canonical SMILES for 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene is c1csc(-c2ccc(-c3cccs3)c3ccccc23)c1.
What is the InChIKey of 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene?
The InChIKey is ZSIJUXOIEHXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S2/c1-2-6-14-13(5-1)15(17-7-3-11-19-17)9-10-16(14)18-8-4-12-20-18/h1-12H.
What are the key properties of 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene?
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene has a molecular weight of 292.43 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene is sourced from PubChem (CID 824513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).