[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide

C36H28I2S3 — CID 71358485

IUPAC[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
SMILES[I-].[I-].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28S3.2HI/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
InChIKeySZJGPRWBYLPIIC-UHFFFAOYSA-L
MW810.63 g/mol
LogP4.04
Rot. Bonds8

About [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide

[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide (PubChem CID 71358485) has the molecular formula C36H28I2S3 and a molecular weight of 810.63 g/mol. Its IUPAC name is [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide.

Molecular Properties

Compound Name[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
PubChem CID71358485
Molecular FormulaC36H28I2S3
Molecular Weight810.63 g/mol
Exact Mass809.94
IUPAC Name[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
SMILES[I-].[I-].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28S3.2HI/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2
InChIKeySZJGPRWBYLPIIC-UHFFFAOYSA-L
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500810.63
LogP ≤ 54.04
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
phenyl-bis(4-phenylsulfanylphenyl)sulfanium
CID 21049843
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 [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide?
The IUPAC name of [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide (CID 71358485) is [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide.
What is the SMILES notation for [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide?
The canonical SMILES for [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide is [I-].[I-].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide?
The InChIKey is SZJGPRWBYLPIIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H28S3.2HI/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2.
What are the key properties of [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide?
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide has a molecular weight of 810.63 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide is sourced from PubChem (CID 71358485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).