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

C38H35F — CID 58698086

IUPAC2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
SMILESCCCc1ccc(-c2ccc(C=Cc3ccc(-c4ccc(C[C@@H](C)c5ccccc5)cc4)cc3F)cc2)cc1
InChIInChI=1S/C38H35F/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/h4-6,8-25,27-28H,3,7,26H2,1-2H3/t28-/m1/s1
InChIKeyQLQDDQCYKKRBTM-MUUNZHRXSA-N
MW510.70 g/mol
LogP10.63
Rot. Bonds9

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

2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene (PubChem CID 58698086) has the molecular formula C38H35F and a molecular weight of 510.70 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
PubChem CID58698086
Molecular FormulaC38H35F
Molecular Weight510.70 g/mol
Exact Mass510.27
IUPAC Name2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
SMILESCCCc1ccc(-c2ccc(C=Cc3ccc(-c4ccc(C[C@@H](C)c5ccccc5)cc4)cc3F)cc2)cc1
InChIInChI=1S/C38H35F/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/h4-6,8-25,27-28H,3,7,26H2,1-2H3/t28-/m1/s1
InChIKeyQLQDDQCYKKRBTM-MUUNZHRXSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 510.63
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-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 58698876
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
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-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
The IUPAC name of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene (CID 58698086) is 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
The canonical SMILES for 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)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-propylphenyl)phenyl]ethenyl]benzene?
The InChIKey is QLQDDQCYKKRBTM-MUUNZHRXSA-N. The full InChI is InChI=1S/C38H35F/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/h4-6,8-25,27-28H,3,7,26H2,1-2H3/t28-/m1/s1.
What are the key properties of 2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene?
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene has a molecular weight of 510.70 g/mol, XLogP of 10.63, 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-propylphenyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 58698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).