1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene

C26H18F2S2 — CID 101499460

IUPAC1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
SMILESFc1ccc(S/C(=C(/Sc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H18F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18H/b26-25+
InChIKeyLKJFTRVYEPHFAV-OCEACIFDSA-N
MW432.56 g/mol
LogP8.38
Rot. Bonds6

About 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene

1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene (PubChem CID 101499460) has the molecular formula C26H18F2S2 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
PubChem CID101499460
Molecular FormulaC26H18F2S2
Molecular Weight432.56 g/mol
Exact Mass432.08
IUPAC Name1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
SMILESFc1ccc(S/C(=C(/Sc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H18F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18H/b26-25+
InChIKeyLKJFTRVYEPHFAV-OCEACIFDSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The IUPAC name of 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene (CID 101499460) is 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene is Fc1ccc(S/C(=C(/Sc2ccc(F)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The InChIKey is LKJFTRVYEPHFAV-OCEACIFDSA-N. The full InChI is InChI=1S/C26H18F2S2/c27-21-11-15-23(16-12-21)29-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)30-24-17-13-22(28)14-18-24/h1-18H/b26-25+.
What are the key properties of 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene has a molecular weight of 432.56 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-(4-fluorophenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene is sourced from PubChem (CID 101499460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).