2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one

C32H30O2S2 — CID 175703291

IUPAC2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cc1ccccc1)SCCSC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C32H30O2S2/c33-31(27-17-9-3-10-18-27)29(23-25-13-5-1-6-14-25)35-21-22-36-30(24-26-15-7-2-8-16-26)32(34)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyCKYZYGANQYNYLK-UHFFFAOYSA-N
MW510.72 g/mol
LogP7.44
Rot. Bonds13

About 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one

2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one (PubChem CID 175703291) has the molecular formula C32H30O2S2 and a molecular weight of 510.72 g/mol. Its IUPAC name is 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one
PubChem CID175703291
Molecular FormulaC32H30O2S2
Molecular Weight510.72 g/mol
Exact Mass510.17
IUPAC Name2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cc1ccccc1)SCCSC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C32H30O2S2/c33-31(27-17-9-3-10-18-27)29(23-25-13-5-1-6-14-25)35-21-22-36-30(24-26-15-7-2-8-16-26)32(34)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyCKYZYGANQYNYLK-UHFFFAOYSA-N
XLogP7.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one with MolForge

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Related Compounds

2-benzylsulfanyl-1-phenylbutan-1-one
CID 13220723
2-(5-fluoropentylsulfanyl)-3-phenylpropanoic acid
CID 114280185
(2S)-2-methylsulfanyl-3-phenylpropanoic acid
CID 6426746
2-(4-methoxybutylsulfanyl)-3-phenylpropanoic acid
CID 104646827
(2S)-2-methylsulfonyl-1,3-diphenylpropan-1-one
CID 135042830
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-(2,2-difluoroethylsulfanyl)-3-phenylpropanoic acid
CID 60922642
2-(2-hydroxypropylsulfanyl)-3-phenylpropanoic acid
CID 60884545
2-benzyl-3-methoxy-1-phenylpropan-1-one
CID 177312202
2-benzyl-1-phenylpent-4-yn-1-one
CID 101071946
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2-methyl-1,4-diphenylbutan-1-one
CID 11413736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one?
The IUPAC name of 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one (CID 175703291) is 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one is O=C(c1ccccc1)C(Cc1ccccc1)SCCSC(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one?
The InChIKey is CKYZYGANQYNYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O2S2/c33-31(27-17-9-3-10-18-27)29(23-25-13-5-1-6-14-25)35-21-22-36-30(24-26-15-7-2-8-16-26)32(34)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2.
What are the key properties of 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one?
2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one has a molecular weight of 510.72 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxo-1,3-diphenylpropan-2-yl)sulfanylethylsulfanyl]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 175703291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).