(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium

C32H25O2S+ — CID 171830981

IUPAC(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H25O2S/c1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25/h2-23H,1H3/q+1
InChIKeyKXQZZNCEUJQPTM-UHFFFAOYSA-N
MW473.62 g/mol
LogP8.11
Rot. Bonds7

About (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium

(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium (PubChem CID 171830981) has the molecular formula C32H25O2S+ and a molecular weight of 473.62 g/mol. Its IUPAC name is (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium.

Molecular Properties

Compound Name(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
PubChem CID171830981
Molecular FormulaC32H25O2S+
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC Name(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
SMILESCc1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H25O2S/c1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25/h2-23H,1H3/q+1
InChIKeyKXQZZNCEUJQPTM-UHFFFAOYSA-N
XLogP8.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium 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

[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-[4-(2-ethoxy-2-oxoacetyl)phenoxy]phenyl]-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 162483924
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
[4-(4-tert-butylphenoxy)phenyl]-diphenylsulfanium;[4-(4-tert-butylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;[4-(4-methylphenoxy)phenyl]-diphenylsulfanium;[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;(4-methylphenyl)-(4-phenoxyphenyl)-phenylsulfanium
CID 161018367
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium?
The IUPAC name of (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium (CID 171830981) is (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium.
What is the SMILES notation for (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium?
The canonical SMILES for (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium is Cc1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium?
The InChIKey is KXQZZNCEUJQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25O2S/c1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25/h2-23H,1H3/q+1.
What are the key properties of (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium?
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium has a molecular weight of 473.62 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium is sourced from PubChem (CID 171830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).