2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile

C24H16N2 — CID 22725864

IUPAC2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2)c(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C24H16N2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)24(18-26)23(22)16-12-20-9-5-2-6-10-20/h1-16H/b13-11+,16-12+
InChIKeyIMDVDXGKOJEWCP-PKRRCJCNSA-N
MW332.41 g/mol
LogP5.77
Rot. Bonds4

About 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile

2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile (PubChem CID 22725864) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile
PubChem CID22725864
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2)c(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C24H16N2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)24(18-26)23(22)16-12-20-9-5-2-6-10-20/h1-16H/b13-11+,16-12+
InChIKeyIMDVDXGKOJEWCP-PKRRCJCNSA-N
XLogP5.77
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.77
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

5-nitro-2-[(E)-2-phenylethenyl]benzonitrile
CID 6255915
3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
CID 67854033
2-hydroxy-4-(2-phenylethenyl)benzonitrile
CID 90919565
2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
5-[3-cyano-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 101239718
1,4-diethynyl-2,5-bis(2-phenylethenyl)benzene
CID 172908032
CID 172791684
CID 172791684
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
4-[[(E)-3-phenylprop-2-enyl]iminomethyl]naphthalene-1-carbonitrile
CID 101183317
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile (CID 22725864) is 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile is N#Cc1ccc(/C=C/c2ccccc2)c(C#N)c1/C=C/c1ccccc1.
What is the InChIKey of 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile?
The InChIKey is IMDVDXGKOJEWCP-PKRRCJCNSA-N. The full InChI is InChI=1S/C24H16N2/c25-17-22-15-14-21(13-11-19-7-3-1-4-8-19)24(18-26)23(22)16-12-20-9-5-2-6-10-20/h1-16H/b13-11+,16-12+.
What are the key properties of 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile?
2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile has a molecular weight of 332.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 22725864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).