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

C32H30F2 — CID 91167302

IUPAC1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
SMILESCC=CCCc1c(F)cc(-c2ccc(-c3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1F
InChIInChI=1S/C32H30F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,12-19,21-23H,6,11,20H2,1-2H3/t23-/m0/s1
InChIKeyYFUQFIBHZLGMGK-QHCPKHFHSA-N
MW452.59 g/mol
LogP9.15
Rot. Bonds8

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

1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene (PubChem CID 91167302) has the molecular formula C32H30F2 and a molecular weight of 452.59 g/mol. Its IUPAC name is 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
PubChem CID91167302
Molecular FormulaC32H30F2
Molecular Weight452.59 g/mol
Exact Mass452.23
IUPAC Name1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
SMILESCC=CCCc1c(F)cc(-c2ccc(-c3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1F
InChIInChI=1S/C32H30F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,12-19,21-23H,6,11,20H2,1-2H3/t23-/m0/s1
InChIKeyYFUQFIBHZLGMGK-QHCPKHFHSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.59
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698730
1,3-difluoro-5-[2-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]ethyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698338
[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl] 4-[4-(2-phenylpropyl)phenyl]benzoate
CID 21052896
[4-[(E)-pent-3-enyl]phenyl] 4-[3,5-difluoro-4-[(2R)-2-phenylpropyl]phenyl]benzoate
CID 58699227
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
2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]phenyl]benzonitrile
CID 170842069
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-[3,5-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-5-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 58698391
2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
CID 21052743
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698753

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene (CID 91167302) is 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene is CC=CCCc1c(F)cc(-c2ccc(-c3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene?
The InChIKey is YFUQFIBHZLGMGK-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H30F2/c1-3-4-6-11-30-31(33)21-29(22-32(30)34)28-18-16-27(17-19-28)26-14-12-24(13-15-26)20-23(2)25-9-7-5-8-10-25/h3-5,7-10,12-19,21-23H,6,11,20H2,1-2H3/t23-/m0/s1.
What are the key properties of 1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene?
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene has a molecular weight of 452.59 g/mol, XLogP of 9.15, 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-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene is sourced from PubChem (CID 91167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).