phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane

C30H30O2S5 — CID 89314171

IUPACphenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane
SMILESC=CCS(Sc1ccccc1)(c1ccccc1)S(=O)(=O)S(CC=C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2S5/c1-3-25-35(29-21-13-7-14-22-29,33-27-17-9-5-10-18-27)37(31,32)36(26-4-2,30-23-15-8-16-24-30)34-28-19-11-6-12-20-28/h3-24H,1-2,25-26H2
InChIKeyHIUNFFQJEDIDBK-UHFFFAOYSA-N
MW582.90 g/mol
LogP9.75
Rot. Bonds12

About phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane

phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane (PubChem CID 89314171) has the molecular formula C30H30O2S5 and a molecular weight of 582.90 g/mol. Its IUPAC name is phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane.

Molecular Properties

Compound Namephenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane
PubChem CID89314171
Molecular FormulaC30H30O2S5
Molecular Weight582.90 g/mol
Exact Mass582.08
IUPAC Namephenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane
SMILESC=CCS(Sc1ccccc1)(c1ccccc1)S(=O)(=O)S(CC=C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2S5/c1-3-25-35(29-21-13-7-14-22-29,33-27-17-9-5-10-18-27)37(31,32)36(26-4-2,30-23-15-8-16-24-30)34-28-19-11-6-12-20-28/h3-24H,1-2,25-26H2
InChIKeyHIUNFFQJEDIDBK-UHFFFAOYSA-N
XLogP9.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.90
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane?
The IUPAC name of phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane (CID 89314171) is phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane.
What is the SMILES notation for phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane?
The canonical SMILES for phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane is C=CCS(Sc1ccccc1)(c1ccccc1)S(=O)(=O)S(CC=C)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane?
The InChIKey is HIUNFFQJEDIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2S5/c1-3-25-35(29-21-13-7-14-22-29,33-27-17-9-5-10-18-27)37(31,32)36(26-4-2,30-23-15-8-16-24-30)34-28-19-11-6-12-20-28/h3-24H,1-2,25-26H2.
What are the key properties of phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane?
phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane has a molecular weight of 582.90 g/mol, XLogP of 9.75, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(phenyl-phenylsulfanyl-prop-2-enyl-λ4-sulfanyl)sulfonyl-phenylsulfanyl-prop-2-enyl-λ4-sulfane is sourced from PubChem (CID 89314171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).