naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium

C24H21S+ — CID 139642194

IUPACnaphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium
SMILESc1ccc(CC[S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21S/c1-3-10-20(11-4-1)18-19-25(22-14-5-2-6-15-22)24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2/q+1
InChIKeyKYBFDWSDZMBVFY-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.12
Rot. Bonds5

About naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium

naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium (PubChem CID 139642194) has the molecular formula C24H21S+ and a molecular weight of 341.50 g/mol. Its IUPAC name is naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium.

Molecular Properties

Compound Namenaphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium
PubChem CID139642194
Molecular FormulaC24H21S+
Molecular Weight341.50 g/mol
Exact Mass341.14
IUPAC Namenaphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium
SMILESc1ccc(CC[S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H21S/c1-3-10-20(11-4-1)18-19-25(22-14-5-2-6-15-22)24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2/q+1
InChIKeyKYBFDWSDZMBVFY-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-anthracen-9-ylpropyl(diphenyl)sulfanium
CID 19782939
carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane
CID 157387022
benzene;2-phenylethylbenzene
CID 18982764
N-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
naphthalen-1-amine;2-phenylethanamine
CID 175144092
dimethyl(naphthalen-1-yl)sulfanium;ethane;propane
CID 169429862
hafnium;2-phenylethylbenzene
CID 173109801
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
CID 154141086
chloro(trinaphthalen-1-yl)germane
CID 88802334
diethyl(naphthalen-1-yl)sulfanium;fluoroform
CID 162621913
1-benzylseleninylnaphthalene
CID 156697909

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium?
The IUPAC name of naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium (CID 139642194) is naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium.
What is the SMILES notation for naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium?
The canonical SMILES for naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium is c1ccc(CC[S+](c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium?
The InChIKey is KYBFDWSDZMBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21S/c1-3-10-20(11-4-1)18-19-25(22-14-5-2-6-15-22)24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2/q+1.
What are the key properties of naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium?
naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium has a molecular weight of 341.50 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-phenyl-(2-phenylethyl)sulfanium is sourced from PubChem (CID 139642194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).