1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene

C31H26F4 — CID 77470915

IUPAC1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C=Cc4ccc(CC)c(F)c4F)cc3)c(F)c2F)cc1
InChIInChI=1S/C31H26F4/c1-3-5-20-6-11-23(12-7-20)26-18-19-27(31(35)30(26)34)24-13-8-21(9-14-24)10-15-25-17-16-22(4-2)28(32)29(25)33/h6-19H,3-5H2,1-2H3
InChIKeyUMYVLVBNJAOOBP-UHFFFAOYSA-N
MW474.54 g/mol
LogP9.26
Rot. Bonds7

About 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene

1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 77470915) has the molecular formula C31H26F4 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
PubChem CID77470915
Molecular FormulaC31H26F4
Molecular Weight474.54 g/mol
Exact Mass474.20
IUPAC Name1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C=Cc4ccc(CC)c(F)c4F)cc3)c(F)c2F)cc1
InChIInChI=1S/C31H26F4/c1-3-5-20-6-11-23(12-7-20)26-18-19-27(31(35)30(26)34)24-13-8-21(9-14-24)10-15-25-17-16-22(4-2)28(32)29(25)33/h6-19H,3-5H2,1-2H3
InChIKeyUMYVLVBNJAOOBP-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 88997553
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 58141784
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58141080
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89139958
2,3-difluoro-1-[(E)-2-[4-(2-fluoro-4-prop-1-ynylphenyl)phenyl]ethenyl]-4-propylbenzene;molecular hydrogen
CID 159123945
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene
CID 77470910
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-[(E)-4-[4-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]phenyl]but-1-enyl]-2,3-difluoro-4-propylbenzene
CID 58953241

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene (CID 77470915) is 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene is CCCc1ccc(-c2ccc(-c3ccc(C=Cc4ccc(CC)c(F)c4F)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is UMYVLVBNJAOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F4/c1-3-5-20-6-11-23(12-7-20)26-18-19-27(31(35)30(26)34)24-13-8-21(9-14-24)10-15-25-17-16-22(4-2)28(32)29(25)33/h6-19H,3-5H2,1-2H3.
What are the key properties of 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 474.54 g/mol, XLogP of 9.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 77470915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).