2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene

C40H39F — CID 58698355

IUPAC2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C=Cc3ccc(-c4ccc(C[C@H](C)c5ccccc5)cc4)cc3)c(F)c2)cc1
InChIInChI=1S/C40H39F/c1-3-7-31-10-12-32(13-11-31)14-15-35-21-27-39(40(41)29-35)26-18-33-16-22-37(23-17-33)38-24-19-34(20-25-38)28-30(2)36-8-5-4-6-9-36/h4-6,8-13,16-27,29-30H,3,7,14-15,28H2,1-2H3/t30-/m0/s1
InChIKeyWWTZUZQELUYQHN-PMERELPUSA-N
MW538.75 g/mol
LogP10.75
Rot. Bonds11

About 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene

2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 58698355) has the molecular formula C40H39F and a molecular weight of 538.75 g/mol. Its IUPAC name is 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID58698355
Molecular FormulaC40H39F
Molecular Weight538.75 g/mol
Exact Mass538.30
IUPAC Name2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C=Cc3ccc(-c4ccc(C[C@H](C)c5ccccc5)cc4)cc3)c(F)c2)cc1
InChIInChI=1S/C40H39F/c1-3-7-31-10-12-32(13-11-31)14-15-35-21-27-39(40(41)29-35)26-18-33-16-22-37(23-17-33)38-24-19-34(20-25-38)28-30(2)36-8-5-4-6-9-36/h4-6,8-13,16-27,29-30H,3,7,14-15,28H2,1-2H3/t30-/m0/s1
InChIKeyWWTZUZQELUYQHN-PMERELPUSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.75
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene (CID 58698355) is 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2ccc(C=Cc3ccc(-c4ccc(C[C@H](C)c5ccccc5)cc4)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is WWTZUZQELUYQHN-PMERELPUSA-N. The full InChI is InChI=1S/C40H39F/c1-3-7-31-10-12-32(13-11-31)14-15-35-21-27-39(40(41)29-35)26-18-33-16-22-37(23-17-33)38-24-19-34(20-25-38)28-30(2)36-8-5-4-6-9-36/h4-6,8-13,16-27,29-30H,3,7,14-15,28H2,1-2H3/t30-/m0/s1.
What are the key properties of 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 538.75 g/mol, XLogP of 10.75, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 58698355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).