1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene

C28H20F2S — CID 72543273

IUPAC1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
SMILESFc1ccc(C=Cc2ccc(Sc3ccc(C=Cc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H20F2S/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h1-20H
InChIKeyMOTATZXZXPYIOA-UHFFFAOYSA-N
MW426.53 g/mol
LogP8.46
Rot. Bonds6

About 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene

1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene (PubChem CID 72543273) has the molecular formula C28H20F2S and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
PubChem CID72543273
Molecular FormulaC28H20F2S
Molecular Weight426.53 g/mol
Exact Mass426.13
IUPAC Name1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
SMILESFc1ccc(C=Cc2ccc(Sc3ccc(C=Cc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H20F2S/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h1-20H
InChIKeyMOTATZXZXPYIOA-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benzene
CID 16739334
2,4-Difluoro-1-(4-(phenylsulfonyl)phenethyl)benzene
CID 21099424
1-Methyl-2-tritylsulfanylbenzene
CID 408597
4-Biphenylyl phenyl sulfide
CID 4387159
(4-Methylphenyl)diphenylsulfonium triflate
CID 16213832
(4-Cyclohexylphenyl)diphenylsulfonium
CID 21863739
p-(Trifluoromethyl)phenyl p-tolyl sulfide
CID 10707001
(4-Fluorophenyl)(p-tolyl)sulfane
CID 10846482
1-[(Phenylmethyl)thio]-4-(trifluoromethyl)benzene
CID 11414500
1,1'-Sulfanediylbis(4-(trifluoromethyl)benzene)
CID 12776871
Tris(4-methylphenyl)sulfanium Chloride
CID 5351245
Tri-p-tolylsulfonium Hexafluorophosphate
CID 13750251

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene (CID 72543273) is 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene is Fc1ccc(C=Cc2ccc(Sc3ccc(C=Cc4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene?
The InChIKey is MOTATZXZXPYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2S/c29-25-13-5-21(6-14-25)1-3-23-9-17-27(18-10-23)31-28-19-11-24(12-20-28)4-2-22-7-15-26(30)16-8-22/h1-20H.
What are the key properties of 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene?
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene has a molecular weight of 426.53 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene is sourced from PubChem (CID 72543273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).