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

C34H35F — CID 21052760

IUPAC2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)c(F)c2)cc1
InChIInChI=1S/C34H35F/c1-3-7-27-10-12-28(13-11-27)16-19-31-21-23-33(34(35)25-31)22-20-29-14-17-30(18-15-29)24-26(2)32-8-5-4-6-9-32/h4-6,8-15,17-18,20-23,25-26H,3,7,16,19,24H2,1-2H3/b22-20+
InChIKeyZQCNRUAPKWDKET-LSDHQDQOSA-N
MW462.65 g/mol
LogP9.08
Rot. Bonds10

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

2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 21052760) has the molecular formula C34H35F and a molecular weight of 462.65 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID21052760
Molecular FormulaC34H35F
Molecular Weight462.65 g/mol
Exact Mass462.27
IUPAC Name2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)c(F)c2)cc1
InChIInChI=1S/C34H35F/c1-3-7-27-10-12-28(13-11-27)16-19-31-21-23-33(34(35)25-31)22-20-29-14-17-30(18-15-29)24-26(2)32-8-5-4-6-9-32/h4-6,8-15,17-18,20-23,25-26H,3,7,16,19,24H2,1-2H3/b22-20+
InChIKeyZQCNRUAPKWDKET-LSDHQDQOSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.65
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
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-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
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene (CID 21052760) is 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2ccc(/C=C/c3ccc(CC(C)c4ccccc4)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is ZQCNRUAPKWDKET-LSDHQDQOSA-N. The full InChI is InChI=1S/C34H35F/c1-3-7-27-10-12-28(13-11-27)16-19-31-21-23-33(34(35)25-31)22-20-29-14-17-30(18-15-29)24-26(2)32-8-5-4-6-9-32/h4-6,8-15,17-18,20-23,25-26H,3,7,16,19,24H2,1-2H3/b22-20+.
What are the key properties of 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene?
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 462.65 g/mol, XLogP of 9.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 21052760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).