4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile

C30H25N — CID 58698926

IUPAC4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
SMILESC[C@H](Cc1ccc(C=Cc2ccc(-c3ccc(C#N)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H25N/c1-23(28-5-3-2-4-6-28)21-26-11-9-24(10-12-26)7-8-25-13-17-29(18-14-25)30-19-15-27(22-31)16-20-30/h2-20,23H,21H2,1H3/t23-/m1/s1
InChIKeyKACYYLMWDPVBKX-HSZRJFAPSA-N
MW399.54 g/mol
LogP7.74
Rot. Bonds6

About 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile

4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile (PubChem CID 58698926) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
PubChem CID58698926
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC Name4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
SMILESC[C@H](Cc1ccc(C=Cc2ccc(-c3ccc(C#N)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H25N/c1-23(28-5-3-2-4-6-28)21-26-11-9-24(10-12-26)7-8-25-13-17-29(18-14-25)30-19-15-27(22-31)16-20-30/h2-20,23H,21H2,1H3/t23-/m1/s1
InChIKeyKACYYLMWDPVBKX-HSZRJFAPSA-N
XLogP7.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
(4-cyanophenyl) 4-[2-[2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]benzoate
CID 58698542
2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
CID 58698573
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
4-[4-[2-[3,5-difluoro-4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzonitrile
CID 58698636
1,4-bis(2-phenylpropyl)benzene
CID 19376086
2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]phenyl]benzonitrile
CID 170842069
1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58699069
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-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile (CID 58698926) is 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile is C[C@H](Cc1ccc(C=Cc2ccc(-c3ccc(C#N)cc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile?
The InChIKey is KACYYLMWDPVBKX-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H25N/c1-23(28-5-3-2-4-6-28)21-26-11-9-24(10-12-26)7-8-25-13-17-29(18-14-25)30-19-15-27(22-31)16-20-30/h2-20,23H,21H2,1H3/t23-/m1/s1.
What are the key properties of 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile?
4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile has a molecular weight of 399.54 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile is sourced from PubChem (CID 58698926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).