bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium

C54H41S5+3 — CID 101131128

IUPACbis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
SMILESc1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccc(Sc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H41S5/c1-6-16-46(17-7-1)57(47-18-8-2-9-19-47)51-34-26-42(27-35-51)55-44-30-38-53(39-31-44)59(50-24-14-5-15-25-50)54-40-32-45(33-41-54)56-43-28-36-52(37-29-43)58(48-20-10-3-11-21-48)49-22-12-4-13-23-49/h1-41H/q+3
InChIKeyYWOLNIMZKOOXBB-UHFFFAOYSA-N
MW850.26 g/mol
LogP15.28
Rot. Bonds13

About bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium

bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium (PubChem CID 101131128) has the molecular formula C54H41S5+3 and a molecular weight of 850.26 g/mol. Its IUPAC name is bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium.

Molecular Properties

Compound Namebis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
PubChem CID101131128
Molecular FormulaC54H41S5+3
Molecular Weight850.26 g/mol
Exact Mass849.18
IUPAC Namebis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
SMILESc1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccc(Sc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H41S5/c1-6-16-46(17-7-1)57(47-18-8-2-9-19-47)51-34-26-42(27-35-51)55-44-30-38-53(39-31-44)59(50-24-14-5-15-25-50)54-40-32-45(33-41-54)56-43-28-36-52(37-29-43)58(48-20-10-3-11-21-48)49-22-12-4-13-23-49/h1-41H/q+3
InChIKeyYWOLNIMZKOOXBB-UHFFFAOYSA-N
XLogP15.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.26
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
CID 71358485
antimony(5+);diphenyl-(4-phenylsulfanylphenyl)sulfanium;hexafluoride
CID 170839043
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
[4-(4-ethylphenyl)sulfanylphenyl]-[4-(4-methylphenyl)sulfanylphenyl]-phenylsulfanium
CID 143787310
CID 25068654
CID 25068654
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
[4-[4-(2-methylphenyl)iodoniophenyl]sulfanylphenyl]-diphenylsulfanium
CID 87705946

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium?
The IUPAC name of bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium (CID 101131128) is bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium.
What is the SMILES notation for bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium?
The canonical SMILES for bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium is c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccc(Sc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium?
The InChIKey is YWOLNIMZKOOXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41S5/c1-6-16-46(17-7-1)57(47-18-8-2-9-19-47)51-34-26-42(27-35-51)55-44-30-38-53(39-31-44)59(50-24-14-5-15-25-50)54-40-32-45(33-41-54)56-43-28-36-52(37-29-43)58(48-20-10-3-11-21-48)49-22-12-4-13-23-49/h1-41H/q+3.
What are the key properties of bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium?
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium has a molecular weight of 850.26 g/mol, XLogP of 15.28, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium is sourced from PubChem (CID 101131128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).