4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile

C33H27NO2 — CID 10895981

IUPAC4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(C#N)cc3)cc(/C=C/c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C33H27NO2/c1-35-32-17-13-26(14-18-32)6-11-30-21-29(10-5-25-3-8-28(24-34)9-4-25)22-31(23-30)12-7-27-15-19-33(36-2)20-16-27/h3-23H,1-2H3/b10-5+,11-6+,12-7+
InChIKeyWOZZGBZTFPUVRQ-HCFQACMASA-N
MW469.58 g/mol
LogP8.09
Rot. Bonds8

About 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile

4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile (PubChem CID 10895981) has the molecular formula C33H27NO2 and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
PubChem CID10895981
Molecular FormulaC33H27NO2
Molecular Weight469.58 g/mol
Exact Mass469.20
IUPAC Name4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(C#N)cc3)cc(/C=C/c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C33H27NO2/c1-35-32-17-13-26(14-18-32)6-11-30-21-29(10-5-25-3-8-28(24-34)9-4-25)22-31(23-30)12-7-27-15-19-33(36-2)20-16-27/h3-23H,1-2H3/b10-5+,11-6+,12-7+
InChIKeyWOZZGBZTFPUVRQ-HCFQACMASA-N
XLogP8.09
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(13C)benzonitrile
CID 175991125
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
CID 59562152
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
CID 57430908
4-[(E)-2-[3,5-bis[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 102018905
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
N-(4-cyanophenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 139057561

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile (CID 10895981) is 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile is COc1ccc(/C=C/c2cc(/C=C/c3ccc(C#N)cc3)cc(/C=C/c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
The InChIKey is WOZZGBZTFPUVRQ-HCFQACMASA-N. The full InChI is InChI=1S/C33H27NO2/c1-35-32-17-13-26(14-18-32)6-11-30-21-29(10-5-25-3-8-28(24-34)9-4-25)22-31(23-30)12-7-27-15-19-33(36-2)20-16-27/h3-23H,1-2H3/b10-5+,11-6+,12-7+.
What are the key properties of 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile?
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile has a molecular weight of 469.58 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 10895981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).