2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene

C44H24F8S4 — CID 139049402

IUPAC2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene
SMILESFc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F.Fc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F
InChIInChI=1S/2C22H12F4S2/c2*23-17-11-15(21-3-1-7-27-21)19(25)9-13(17)5-6-14-10-20(26)16(12-18(14)24)22-4-2-8-28-22/h2*1-12H/b2*6-5+
InChIKeyONOZGKNVPGNJNU-HBVWGTQWSA-N
MW832.93 g/mol
LogP15.74
Rot. Bonds8

About 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene

2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene (PubChem CID 139049402) has the molecular formula C44H24F8S4 and a molecular weight of 832.93 g/mol. Its IUPAC name is 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene.

Molecular Properties

Compound Name2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene
PubChem CID139049402
Molecular FormulaC44H24F8S4
Molecular Weight832.93 g/mol
Exact Mass832.06
IUPAC Name2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene
SMILESFc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F.Fc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F
InChIInChI=1S/2C22H12F4S2/c2*23-17-11-15(21-3-1-7-27-21)19(25)9-13(17)5-6-14-10-20(26)16(12-18(14)24)22-4-2-8-28-22/h2*1-12H/b2*6-5+
InChIKeyONOZGKNVPGNJNU-HBVWGTQWSA-N
XLogP15.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.93
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-(4-ethylphenyl)-2-fluorophenyl]thiophene
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2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
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2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene?
The IUPAC name of 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene (CID 139049402) is 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene.
What is the SMILES notation for 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene?
The canonical SMILES for 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene is Fc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F.Fc1cc(-c2cccs2)c(F)cc1/C=C/c1cc(F)c(-c2cccs2)cc1F.
What is the InChIKey of 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene?
The InChIKey is ONOZGKNVPGNJNU-HBVWGTQWSA-N. The full InChI is InChI=1S/2C22H12F4S2/c2*23-17-11-15(21-3-1-7-27-21)19(25)9-13(17)5-6-14-10-20(26)16(12-18(14)24)22-4-2-8-28-22/h2*1-12H/b2*6-5+.
What are the key properties of 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene?
2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene has a molecular weight of 832.93 g/mol, XLogP of 15.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(2,5-difluoro-4-thiophen-2-ylphenyl)ethenyl]-2,5-difluorophenyl]thiophene is sourced from PubChem (CID 139049402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).