C155H148F5N — CID 159266047
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 (PubChem CID 159266047) has the molecular formula C155H148F5N and a molecular weight of 2119.89 g/mol. Its IUPAC name is 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.
| Compound Name | 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 |
|---|---|
| PubChem CID | 159266047 |
| Molecular Formula | C155H148F5N |
| Molecular Weight | 2119.89 g/mol |
| Exact Mass | 2118.15 |
| IUPAC Name | 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 |
| SMILES | CCCc1ccc(CCc2ccc(C=Cc3ccc(-c4ccc(C[C@H](C)c5ccccc5)cc4)cc3)c(F)c2)cc1.CCCc1ccc(CCc2ccc(C=Cc3ccc(C4CCC(C[C@H](C)c5ccccc5)CC4)cc3)c(F)c2)cc1.C[C@@H](Cc1ccc(-c2ccc(C=Cc3ccc(CCc4ccc(C#N)cc4)cc3F)cc2)cc1)c1ccccc1.C[C@@H](Cc1ccc(-c2ccc(C=Cc3ccc(CCc4ccc(F)cc4)cc3F)cc2)cc1)c1ccccc1 |
| InChI | InChI=1S/C40H45F.C40H39F.C38H32FN.C37H32F2/c2*1-3-7-31-10-12-32(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;1-28(34-5-3-2-4-6-34)25-31-16-21-36(22-17-31)35-19-13-30(14-20-35)15-23-37-24-18-32(26-38(37)39)10-7-29-8-11-33(27-40)12-9-29;1-27(32-5-3-2-4-6-32)25-30-12-19-34(20-13-30)33-17-9-29(10-18-33)11-21-35-22-14-31(26-37(35)39)8-7-28-15-23-36(38)24-16-28/h4-6,8-13,16-18,21-23,26-27,29-30,34,38H,3,7,14-15,19-20,24-25,28H2,1-2H3;4-6,8-13,16-27,29-30H,3,7,14-15,28H2,1-2H3;2-6,8-9,11-24,26,28H,7,10,25H2,1H3;2-6,9-24,26-27H,7-8,25H2,1H3/t30-,34?,38?;30-;28-;27-/m0000/s1 |
| InChIKey | KXCQGCSBOCZFOT-ZAKLQUTFSA-N |
| XLogP | 41.55 |
| TPSA | 23.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 161 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2119.89 |
| LogP ≤ 5 | 41.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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