2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene

C38H41F — CID 58698876

IUPAC2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
SMILESCCCC1CCC(c2ccc(C=Cc3ccc(-c4ccc(C[C@@H](C)c5ccccc5)cc4)cc3F)cc2)CC1
InChIInChI=1S/C38H41F/c1-3-7-29-10-17-33(18-11-29)34-19-12-30(13-20-34)14-23-36-24-25-37(27-38(36)39)35-21-15-31(16-22-35)26-28(2)32-8-5-4-6-9-32/h4-6,8-9,12-16,19-25,27-29,33H,3,7,10-11,17-18,26H2,1-2H3/t28-,29?,33?/m1/s1
InChIKeyFREMYBDSAXVVCE-OBYBKVPASA-N
MW516.74 g/mol
LogP11.08
Rot. Bonds9

About 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene

2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene (PubChem CID 58698876) has the molecular formula C38H41F and a molecular weight of 516.74 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
PubChem CID58698876
Molecular FormulaC38H41F
Molecular Weight516.74 g/mol
Exact Mass516.32
IUPAC Name2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
SMILESCCCC1CCC(c2ccc(C=Cc3ccc(-c4ccc(C[C@@H](C)c5ccccc5)cc4)cc3F)cc2)CC1
InChIInChI=1S/C38H41F/c1-3-7-29-10-17-33(18-11-29)34-19-12-30(13-20-34)14-23-36-24-25-37(27-38(36)39)35-21-15-31(16-22-35)26-28(2)32-8-5-4-6-9-32/h4-6,8-9,12-16,19-25,27-29,33H,3,7,10-11,17-18,26H2,1-2H3/t28-,29?,33?/m1/s1
InChIKeyFREMYBDSAXVVCE-OBYBKVPASA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.74
LogP ≤ 511.08
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-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58699346
2-fluoro-1-[2-[4-(4-fluorophenyl)phenyl]ethenyl]-4-[4-[(2R)-2-phenylpropyl]phenyl]benzene;2-fluoro-4-(4-fluorophenyl)-1-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]benzene;2-fluoro-1-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene;4-[3-fluoro-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]benzonitrile;4-[4-[2-[2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]benzonitrile;2-fluoro-1-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 158295751
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-4-[2-(4-fluorophenyl)ethyl]-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]benzene;2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene;4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile;2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 159266047
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene?
The IUPAC name of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene (CID 58698876) is 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene?
The canonical SMILES for 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene is CCCC1CCC(c2ccc(C=Cc3ccc(-c4ccc(C[C@@H](C)c5ccccc5)cc4)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene?
The InChIKey is FREMYBDSAXVVCE-OBYBKVPASA-N. The full InChI is InChI=1S/C38H41F/c1-3-7-29-10-17-33(18-11-29)34-19-12-30(13-20-34)14-23-36-24-25-37(27-38(36)39)35-21-15-31(16-22-35)26-28(2)32-8-5-4-6-9-32/h4-6,8-9,12-16,19-25,27-29,33H,3,7,10-11,17-18,26H2,1-2H3/t28-,29?,33?/m1/s1.
What are the key properties of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene?
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene has a molecular weight of 516.74 g/mol, XLogP of 11.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 58698876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).