phenyl-bis(4-phenylsulfanylphenyl)sulfanium

C30H23S3+ — CID 21049843

IUPACphenyl-bis(4-phenylsulfanylphenyl)sulfanium
SMILESc1ccc(Sc2ccc([S+](c3ccccc3)c3ccc(Sc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-26-16-20-29(21-17-26)33(28-14-8-3-9-15-28)30-22-18-27(19-23-30)32-25-12-6-2-7-13-25/h1-23H/q+1
InChIKeyJEBMZPLGDZQWCZ-UHFFFAOYSA-N
MW479.72 g/mol
LogP9.08
Rot. Bonds7

About phenyl-bis(4-phenylsulfanylphenyl)sulfanium

phenyl-bis(4-phenylsulfanylphenyl)sulfanium (PubChem CID 21049843) has the molecular formula C30H23S3+ and a molecular weight of 479.72 g/mol. Its IUPAC name is phenyl-bis(4-phenylsulfanylphenyl)sulfanium.

Molecular Properties

Compound Namephenyl-bis(4-phenylsulfanylphenyl)sulfanium
PubChem CID21049843
Molecular FormulaC30H23S3+
Molecular Weight479.72 g/mol
Exact Mass479.10
IUPAC Namephenyl-bis(4-phenylsulfanylphenyl)sulfanium
SMILESc1ccc(Sc2ccc([S+](c3ccccc3)c3ccc(Sc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-26-16-20-29(21-17-26)33(28-14-8-3-9-15-28)30-22-18-27(19-23-30)32-25-12-6-2-7-13-25/h1-23H/q+1
InChIKeyJEBMZPLGDZQWCZ-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.72
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-bis(4-phenylsulfanylphenyl)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

bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
antimony(5+);diphenyl-(4-phenylsulfanylphenyl)sulfanium;hexafluoride
CID 170839043
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
CID 71358485
diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
CID 140741745
bis(4-diphenylsulfoniophenyl)-phenylsulfanium;diphenyl-[4-[phenyl-(4-phenylsulfanylphenyl)sulfonio]phenyl]sulfanium;(4-diphenylsulfoniophenyl)-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium
CID 158008394
diphenyl-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanium;hexafluoroantimony(1-)
CID 71301088
diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium
CID 145340200
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(4-phenylsulfanylphenyl)sulfanium
CID 159347520
CID 25068654
CID 25068654
CID 66690055
CID 66690055
[4-(4-ethylphenyl)sulfanylphenyl]-[4-(4-methylphenyl)sulfanylphenyl]-phenylsulfanium
CID 143787310
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090

Frequently Asked Questions

What is the IUPAC name of phenyl-bis(4-phenylsulfanylphenyl)sulfanium?
The IUPAC name of phenyl-bis(4-phenylsulfanylphenyl)sulfanium (CID 21049843) is phenyl-bis(4-phenylsulfanylphenyl)sulfanium.
What is the SMILES notation for phenyl-bis(4-phenylsulfanylphenyl)sulfanium?
The canonical SMILES for phenyl-bis(4-phenylsulfanylphenyl)sulfanium is c1ccc(Sc2ccc([S+](c3ccccc3)c3ccc(Sc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of phenyl-bis(4-phenylsulfanylphenyl)sulfanium?
The InChIKey is JEBMZPLGDZQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-26-16-20-29(21-17-26)33(28-14-8-3-9-15-28)30-22-18-27(19-23-30)32-25-12-6-2-7-13-25/h1-23H/q+1.
What are the key properties of phenyl-bis(4-phenylsulfanylphenyl)sulfanium?
phenyl-bis(4-phenylsulfanylphenyl)sulfanium has a molecular weight of 479.72 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(4-phenylsulfanylphenyl)sulfanium is sourced from PubChem (CID 21049843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).