2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile

C29H18N4 — CID 163977129

IUPAC2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(C#N)ccc1C#N
InChIInChI=1S/C29H18N4/c30-19-23-11-14-24(20-31)29(18-23)25(21-32)17-22-12-15-28(16-13-22)33(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-18H/b25-17+
InChIKeySVDUEPCLLCPFRA-KOEQRZSOSA-N
MW422.49 g/mol
LogP6.96
Rot. Bonds5

About 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile

2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (PubChem CID 163977129) has the molecular formula C29H18N4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
PubChem CID163977129
Molecular FormulaC29H18N4
Molecular Weight422.49 g/mol
Exact Mass422.15
IUPAC Name2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(C#N)ccc1C#N
InChIInChI=1S/C29H18N4/c30-19-23-11-14-24(20-31)29(18-23)25(21-32)17-22-12-15-28(16-13-22)33(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-18H/b25-17+
InChIKeySVDUEPCLLCPFRA-KOEQRZSOSA-N
XLogP6.96
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(N-[4-[(Z)-2-cyano-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]anilino)phenyl]-2-(1-methylpyridin-1-ium-4-yl)prop-2-enenitrile
CID 177405596
(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 102262269
2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005
2-(N-[3-(N-[2-cyano-5-(N-phenylanilino)phenyl]anilino)phenyl]anilino)-4-(N-phenylanilino)benzonitrile
CID 157175807
2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 89337671
(Z)-3-[4-(N-phenylanilino)phenyl]-2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]prop-2-enenitrile
CID 143916414
3-[2-(4-chlorophenyl)-1-cyanoethenyl]benzonitrile
CID 3913504
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (CID 163977129) is 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(C#N)ccc1C#N.
What is the InChIKey of 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The InChIKey is SVDUEPCLLCPFRA-KOEQRZSOSA-N. The full InChI is InChI=1S/C29H18N4/c30-19-23-11-14-24(20-31)29(18-23)25(21-32)17-22-12-15-28(16-13-22)33(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-18H/b25-17+.
What are the key properties of 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile has a molecular weight of 422.49 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-cyano-2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 163977129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).