2,3-diphenylthiophene

C16H12S — CID 2801736

IUPAC2,3-diphenylthiophene
SMILESc1ccc(-c2ccsc2-c2ccccc2)cc1
InChIInChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-17-16(15)14-9-5-2-6-10-14/h1-12H
InChIKeyRZFOAVRHEGQZRV-UHFFFAOYSA-N
MW236.34 g/mol
LogP5.08
Rot. Bonds2

About 2,3-diphenylthiophene

2,3-diphenylthiophene (PubChem CID 2801736) has the molecular formula C16H12S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,3-diphenylthiophene.

Molecular Properties

Compound Name2,3-diphenylthiophene
PubChem CID2801736
Molecular FormulaC16H12S
Molecular Weight236.34 g/mol
Exact Mass236.07
IUPAC Name2,3-diphenylthiophene
SMILESc1ccc(-c2ccsc2-c2ccccc2)cc1
InChIInChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-17-16(15)14-9-5-2-6-10-14/h1-12H
InChIKeyRZFOAVRHEGQZRV-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylthiophene?
The IUPAC name of 2,3-diphenylthiophene (CID 2801736) is 2,3-diphenylthiophene.
What is the SMILES notation for 2,3-diphenylthiophene?
The canonical SMILES for 2,3-diphenylthiophene is c1ccc(-c2ccsc2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenylthiophene?
The InChIKey is RZFOAVRHEGQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-17-16(15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,3-diphenylthiophene?
2,3-diphenylthiophene has a molecular weight of 236.34 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylthiophene is sourced from PubChem (CID 2801736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).