2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile

C25H18N2 — CID 10497783

IUPAC2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3cc(C#N)ccc3C#N)cc2)cc1
InChIInChI=1S/C25H18N2/c1-19-2-4-20(5-3-19)6-7-21-8-10-22(11-9-21)12-14-24-16-23(17-26)13-15-25(24)18-27/h2-16H,1H3/b7-6+,14-12+
InChIKeyDKTRPKIAHYIVGY-CKRYPDTRSA-N
MW346.43 g/mol
LogP6.08
Rot. Bonds4

About 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile

2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile (PubChem CID 10497783) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile
PubChem CID10497783
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3cc(C#N)ccc3C#N)cc2)cc1
InChIInChI=1S/C25H18N2/c1-19-2-4-20(5-3-19)6-7-21-8-10-22(11-9-21)12-14-24-16-23(17-26)13-15-25(24)18-27/h2-16H,1H3/b7-6+,14-12+
InChIKeyDKTRPKIAHYIVGY-CKRYPDTRSA-N
XLogP6.08
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
CID 67854033
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
3-amino-4-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 5372722
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
2,4,6-tris[(E)-2-(4-methylphenyl)ethenyl]benzene-1,3,5-tricarbonitrile
CID 101132259
1-methyl-8-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenanthrene-3,6-dicarbonitrile
CID 163921595
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
4-methylbenzonitrile;[(E)-prop-1-enyl]benzene;1,4-xylene
CID 143368979
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
4-prop-1-enylbenzonitrile
CID 68719840

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile (CID 10497783) is 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile is Cc1ccc(/C=C/c2ccc(/C=C/c3cc(C#N)ccc3C#N)cc2)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The InChIKey is DKTRPKIAHYIVGY-CKRYPDTRSA-N. The full InChI is InChI=1S/C25H18N2/c1-19-2-4-20(5-3-19)6-7-21-8-10-22(11-9-21)12-14-24-16-23(17-26)13-15-25(24)18-27/h2-16H,1H3/b7-6+,14-12+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile?
2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile has a molecular weight of 346.43 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 10497783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).