bis(2-benzoylphenyl)-phenylsulfanium

C32H23O2S+ — CID 87492678

IUPACbis(2-benzoylphenyl)-phenylsulfanium
SMILESO=C(c1ccccc1)c1ccccc1[S+](c1ccccc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C32H23O2S/c33-31(24-14-4-1-5-15-24)27-20-10-12-22-29(27)35(26-18-8-3-9-19-26)30-23-13-11-21-28(30)32(34)25-16-6-2-7-17-25/h1-23H/q+1
InChIKeyYSOIQKUARPDAGZ-UHFFFAOYSA-N
MW471.60 g/mol
LogP7.24
Rot. Bonds7

About bis(2-benzoylphenyl)-phenylsulfanium

bis(2-benzoylphenyl)-phenylsulfanium (PubChem CID 87492678) has the molecular formula C32H23O2S+ and a molecular weight of 471.60 g/mol. Its IUPAC name is bis(2-benzoylphenyl)-phenylsulfanium.

Molecular Properties

Compound Namebis(2-benzoylphenyl)-phenylsulfanium
PubChem CID87492678
Molecular FormulaC32H23O2S+
Molecular Weight471.60 g/mol
Exact Mass471.14
IUPAC Namebis(2-benzoylphenyl)-phenylsulfanium
SMILESO=C(c1ccccc1)c1ccccc1[S+](c1ccccc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C32H23O2S/c33-31(24-14-4-1-5-15-24)27-20-10-12-22-29(27)35(26-18-8-3-9-19-26)30-23-13-11-21-28(30)32(34)25-16-6-2-7-17-25/h1-23H/q+1
InChIKeyYSOIQKUARPDAGZ-UHFFFAOYSA-N
XLogP7.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-benzoylphenyl)-phenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
phenyl-(2-silylphenyl)methanone
CID 137327642
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-aminophenyl)-phenylmethanone
CID 158207972
1-benzoyl-2-(sulfinoamino)benzene
CID 23299444
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338

Frequently Asked Questions

What is the IUPAC name of bis(2-benzoylphenyl)-phenylsulfanium?
The IUPAC name of bis(2-benzoylphenyl)-phenylsulfanium (CID 87492678) is bis(2-benzoylphenyl)-phenylsulfanium.
What is the SMILES notation for bis(2-benzoylphenyl)-phenylsulfanium?
The canonical SMILES for bis(2-benzoylphenyl)-phenylsulfanium is O=C(c1ccccc1)c1ccccc1[S+](c1ccccc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of bis(2-benzoylphenyl)-phenylsulfanium?
The InChIKey is YSOIQKUARPDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23O2S/c33-31(24-14-4-1-5-15-24)27-20-10-12-22-29(27)35(26-18-8-3-9-19-26)30-23-13-11-21-28(30)32(34)25-16-6-2-7-17-25/h1-23H/q+1.
What are the key properties of bis(2-benzoylphenyl)-phenylsulfanium?
bis(2-benzoylphenyl)-phenylsulfanium has a molecular weight of 471.60 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzoylphenyl)-phenylsulfanium is sourced from PubChem (CID 87492678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).