(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one

C23H20OS — CID 10980862

IUPAC(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20OS/c24-23(20-12-6-2-7-13-20)18-22(25-21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+
InChIKeyGWPCUILGEFYEQY-WUKNDPDISA-N
MW344.48 g/mol
LogP6.13
Rot. Bonds7

About (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one

(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one (PubChem CID 10980862) has the molecular formula C23H20OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one
PubChem CID10980862
Molecular FormulaC23H20OS
Molecular Weight344.48 g/mol
Exact Mass344.12
IUPAC Name(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one
SMILESO=C(CC(/C=C/c1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20OS/c24-23(20-12-6-2-7-13-20)18-22(25-21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+
InChIKeyGWPCUILGEFYEQY-WUKNDPDISA-N
XLogP6.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one?
The IUPAC name of (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one (CID 10980862) is (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one.
What is the SMILES notation for (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one?
The canonical SMILES for (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one is O=C(CC(/C=C/c1ccccc1)Sc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one?
The InChIKey is GWPCUILGEFYEQY-WUKNDPDISA-N. The full InChI is InChI=1S/C23H20OS/c24-23(20-12-6-2-7-13-20)18-22(25-21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17,22H,18H2/b17-16+.
What are the key properties of (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one?
(E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one has a molecular weight of 344.48 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenyl-3-phenylsulfanylpent-4-en-1-one is sourced from PubChem (CID 10980862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).