3-benzyl-2,5-diphenylthiophene

C23H18S — CID 14921927

IUPAC3-benzyl-2,5-diphenylthiophene
SMILESc1ccc(Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)24-23(21)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyBEMXKWJLEXRHNY-UHFFFAOYSA-N
MW326.46 g/mol
LogP6.67
Rot. Bonds4

About 3-benzyl-2,5-diphenylthiophene

3-benzyl-2,5-diphenylthiophene (PubChem CID 14921927) has the molecular formula C23H18S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-benzyl-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-benzyl-2,5-diphenylthiophene
PubChem CID14921927
Molecular FormulaC23H18S
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name3-benzyl-2,5-diphenylthiophene
SMILESc1ccc(Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)24-23(21)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyBEMXKWJLEXRHNY-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,5-diphenylthiophene?
The IUPAC name of 3-benzyl-2,5-diphenylthiophene (CID 14921927) is 3-benzyl-2,5-diphenylthiophene.
What is the SMILES notation for 3-benzyl-2,5-diphenylthiophene?
The canonical SMILES for 3-benzyl-2,5-diphenylthiophene is c1ccc(Cc2cc(-c3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2,5-diphenylthiophene?
The InChIKey is BEMXKWJLEXRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)24-23(21)20-14-8-3-9-15-20/h1-15,17H,16H2.
What are the key properties of 3-benzyl-2,5-diphenylthiophene?
3-benzyl-2,5-diphenylthiophene has a molecular weight of 326.46 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,5-diphenylthiophene is sourced from PubChem (CID 14921927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).