diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium

C29H21O2S2+ — CID 140948266

IUPACdiphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
SMILESO=C(c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)c1cccs1
InChIInChI=1S/C29H21O2S2/c30-29(28-12-7-21-32-28)22-13-15-23(16-14-22)31-24-17-19-27(20-18-24)33(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H/q+1
InChIKeyXTPYESJFJUYCNR-UHFFFAOYSA-N
MW465.62 g/mol
LogP7.87
Rot. Bonds7

About diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium

diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium (PubChem CID 140948266) has the molecular formula C29H21O2S2+ and a molecular weight of 465.62 g/mol. Its IUPAC name is diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
PubChem CID140948266
Molecular FormulaC29H21O2S2+
Molecular Weight465.62 g/mol
Exact Mass465.10
IUPAC Namediphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
SMILESO=C(c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)c1cccs1
InChIInChI=1S/C29H21O2S2/c30-29(28-12-7-21-32-28)22-13-15-23(16-14-22)31-24-17-19-27(20-18-24)33(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H/q+1
InChIKeyXTPYESJFJUYCNR-UHFFFAOYSA-N
XLogP7.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]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

(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
[4-(thiophene-2-carbonyl)phenyl]thiourea
CID 95560975
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium?
The IUPAC name of diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium (CID 140948266) is diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium is O=C(c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)c1cccs1.
What is the InChIKey of diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium?
The InChIKey is XTPYESJFJUYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21O2S2/c30-29(28-12-7-21-32-28)22-13-15-23(16-14-22)31-24-17-19-27(20-18-24)33(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-21H/q+1.
What are the key properties of diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium?
diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium has a molecular weight of 465.62 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium is sourced from PubChem (CID 140948266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).