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

C30H23S2+ — CID 140741745

IUPACdiphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
SMILESc1ccc(Sc2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S2/c1-4-10-26(11-5-1)31-27-20-16-24(17-21-27)25-18-22-30(23-19-25)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1
InChIKeyLPYWTRFMNZNNDM-UHFFFAOYSA-N
MW447.65 g/mol
LogP8.60
Rot. Bonds6

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

diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium (PubChem CID 140741745) has the molecular formula C30H23S2+ and a molecular weight of 447.65 g/mol. Its IUPAC name is diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
PubChem CID140741745
Molecular FormulaC30H23S2+
Molecular Weight447.65 g/mol
Exact Mass447.12
IUPAC Namediphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
SMILESc1ccc(Sc2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H23S2/c1-4-10-26(11-5-1)31-27-20-16-24(17-21-27)25-18-22-30(23-19-25)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1
InChIKeyLPYWTRFMNZNNDM-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-diphenylsulfoniophenyl)-phenylsulfanium;diphenyl-[4-[phenyl-(4-phenylsulfanylphenyl)sulfonio]phenyl]sulfanium;(4-diphenylsulfoniophenyl)-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium
CID 158008394
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)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
[4-(4-ethylphenyl)sulfanylphenyl]-[4-(4-methylphenyl)sulfanylphenyl]-phenylsulfanium
CID 143787310
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
CID 25068654
CID 25068654
diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-chlorophenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 159514018

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium?
The IUPAC name of diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium (CID 140741745) is diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium is c1ccc(Sc2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium?
The InChIKey is LPYWTRFMNZNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23S2/c1-4-10-26(11-5-1)31-27-20-16-24(17-21-27)25-18-22-30(23-19-25)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1.
What are the key properties of diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium?
diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium has a molecular weight of 447.65 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium is sourced from PubChem (CID 140741745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).