1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

C28H28F2 — CID 58698730

IUPAC1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC/C=C/CCc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F
InChIInChI=1S/C28H28F2/c1-3-4-6-11-26-27(29)19-24(20-28(26)30)17-14-22-12-15-23(16-13-22)18-21(2)25-9-7-5-8-10-25/h3-5,7-10,12-17,19-21H,6,11,18H2,1-2H3/b4-3+,17-14?/t21-/m1/s1
InChIKeyLYAGTBFFZBAGFJ-PEIJNKDRSA-N
MW402.53 g/mol
LogP7.99
Rot. Bonds8

About 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698730) has the molecular formula C28H28F2 and a molecular weight of 402.53 g/mol. Its IUPAC name is 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698730
Molecular FormulaC28H28F2
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC/C=C/CCc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F
InChIInChI=1S/C28H28F2/c1-3-4-6-11-26-27(29)19-24(20-28(26)30)17-14-22-12-15-23(16-13-22)18-21(2)25-9-7-5-8-10-25/h3-5,7-10,12-17,19-21H,6,11,18H2,1-2H3/b4-3+,17-14?/t21-/m1/s1
InChIKeyLYAGTBFFZBAGFJ-PEIJNKDRSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
CID 91167302
1,3-difluoro-5-pent-3-enyl-2-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91003590
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184
2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470
2,3-difluoro-1-[(E)-pent-3-enyl]-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052682
2-fluoro-1-[2-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58698929
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-(2-phenylpropyl)phenyl]benzoate
CID 21052896
1,3-difluoro-5-[2-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]ethyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698338
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698730) is 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is C/C=C/CCc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is LYAGTBFFZBAGFJ-PEIJNKDRSA-N. The full InChI is InChI=1S/C28H28F2/c1-3-4-6-11-26-27(29)19-24(20-28(26)30)17-14-22-12-15-23(16-13-22)18-21(2)25-9-7-5-8-10-25/h3-5,7-10,12-17,19-21H,6,11,18H2,1-2H3/b4-3+,17-14?/t21-/m1/s1.
What are the key properties of 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 402.53 g/mol, XLogP of 7.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).