diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium

C30H24S3+2 — CID 145340200

IUPACdiphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium
SMILESc1ccc(Sc2ccc([SH+]c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1/p+1
InChIKeyYXAXAWYSNCVMMQ-UHFFFAOYSA-O
MW480.72 g/mol
LogP8.17
Rot. Bonds7

About diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium

diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium (PubChem CID 145340200) has the molecular formula C30H24S3+2 and a molecular weight of 480.72 g/mol. Its IUPAC name is diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium
PubChem CID145340200
Molecular FormulaC30H24S3+2
Molecular Weight480.72 g/mol
Exact Mass480.10
IUPAC Namediphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium
SMILESc1ccc(Sc2ccc([SH+]c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1/p+1
InChIKeyYXAXAWYSNCVMMQ-UHFFFAOYSA-O
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
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
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 diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium?
The IUPAC name of diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium (CID 145340200) is diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium?
The canonical SMILES for diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium is c1ccc(Sc2ccc([SH+]c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium?
The InChIKey is YXAXAWYSNCVMMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1/p+1.
What are the key properties of diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium?
diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium has a molecular weight of 480.72 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium is sourced from PubChem (CID 145340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).