1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene

C166H161F6NO — CID 159895085

About 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene

1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene (PubChem CID 159895085) has the molecular formula C166H161F6NO and a molecular weight of 2300.11 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene.

Molecular Properties

• Compound Name: 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
• PubChem CID: 159895085
• Molecular Formula: C166H161F6NO
• Molecular Weight: 2300.11 g/mol
• Exact Mass: 2298.25
• IUPAC Name: 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
• SMILES: C/C=C/CCc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.CCCc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.CCOc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.C[C@@H](Cc1ccc(CCc2ccc(C=Cc3ccc(C#N)cc3)c(F)c2)cc1)c1ccccc1.C[C@@H](Cc1ccc(CCc2ccc(C=Cc3ccc(F)cc3)c(F)c2)cc1)c1ccccc1
• InChI: InChI=1S/C36H37F.C34H35F.C33H33FO.C32H28FN.C31H28F2/c1-3-4-6-9-29-12-14-31(15-13-29)22-24-35-25-23-33(27-36(35)37)21-18-30-16-19-32(20-17-30)26-28(2)34-10-7-5-8-11-34;1-3-7-27-10-12-29(13-11-27)20-22-33-23-21-31(25-34(33)35)19-16-28-14-17-30(18-15-28)24-26(2)32-8-5-4-6-9-32;1-3-35-32-21-17-27(18-22-32)15-19-31-20-16-29(24-33(31)34)14-11-26-9-12-28(13-10-26)23-25(2)30-7-5-4-6-8-30;1-24(30-5-3-2-4-6-30)21-27-12-7-25(8-13-27)9-14-28-18-20-31(32(33)22-28)19-17-26-10-15-29(23-34)16-11-26;1-23(28-5-3-2-4-6-28)21-26-10-7-24(8-11-26)9-12-27-14-18-29(31(33)22-27)17-13-25-15-19-30(32)20-16-25/h3-5,7-8,10-17,19-20,22-25,27-28H,6,9,18,21,26H2,1-2H3;4-6,8-15,17-18,20-23,25-26H,3,7,16,19,24H2,1-2H3;4-10,12-13,15-22,24-25H,3,11,14,23H2,1-2H3;2-8,10-13,15-20,22,24H,9,14,21H2,1H3;2-8,10-11,13-20,22-23H,9,12,21H2,1H3/b4-3+,24-22?;;;;/t28-;26-;25-;24-;23-/m00000/s1
• InChIKey: NVFWVLWOMVQDSS-RVCPHRITSA-N
• XLogP: 43.51
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2300.11
LogP ≤ 5	43.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?

The IUPAC name of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene (CID 159895085) is 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene.

What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?

The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene is C/C=C/CCc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.CCCc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.CCOc1ccc(C=Cc2ccc(CCc3ccc(C[C@H](C)c4ccccc4)cc3)cc2F)cc1.C[C@@H](Cc1ccc(CCc2ccc(C=Cc3ccc(C#N)cc3)c(F)c2)cc1)c1ccccc1.C[C@@H](Cc1ccc(CCc2ccc(C=Cc3ccc(F)cc3)c(F)c2)cc1)c1ccccc1.

What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?

The InChIKey is NVFWVLWOMVQDSS-RVCPHRITSA-N. The full InChI is InChI=1S/C36H37F.C34H35F.C33H33FO.C32H28FN.C31H28F2/c1-3-4-6-9-29-12-14-31(15-13-29)22-24-35-25-23-33(27-36(35)37)21-18-30-16-19-32(20-17-30)26-28(2)34-10-7-5-8-11-34;1-3-7-27-10-12-29(13-11-27)20-22-33-23-21-31(25-34(33)35)19-16-28-14-17-30(18-15-28)24-26(2)32-8-5-4-6-9-32;1-3-35-32-21-17-27(18-22-32)15-19-31-20-16-29(24-33(31)34)14-11-26-9-12-28(13-10-26)23-25(2)30-7-5-4-6-8-30;1-24(30-5-3-2-4-6-30)21-27-12-7-25(8-13-27)9-14-28-18-20-31(32(33)22-28)19-17-26-10-15-29(23-34)16-11-26;1-23(28-5-3-2-4-6-28)21-26-10-7-24(8-11-26)9-12-27-14-18-29(31(33)22-27)17-13-25-15-19-30(32)20-16-25/h3-5,7-8,10-17,19-20,22-25,27-28H,6,9,18,21,26H2,1-2H3;4-6,8-15,17-18,20-23,25-26H,3,7,16,19,24H2,1-2H3;4-10,12-13,15-22,24-25H,3,11,14,23H2,1-2H3;2-8,10-13,15-20,22,24H,9,14,21H2,1H3;2-8,10-11,13-20,22-23H,9,12,21H2,1H3/b4-3+,24-22?;;;;/t28-;26-;25-;24-;23-/m00000/s1.

What are the key properties of 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?

1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene has a molecular weight of 2300.11 g/mol, XLogP of 43.51, 47 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene is sourced from PubChem (CID 159895085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).