2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile

C24H14N4O — CID 11793799

IUPAC2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H14N4O/c25-14-20(15-26)24(16-27)19-8-12-23(13-9-19)28(21-4-2-1-3-5-21)22-10-6-18(17-29)7-11-22/h1-13,17H
InChIKeyBZRVQJKHFIJCJX-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.29
Rot. Bonds5

About 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile

2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile (PubChem CID 11793799) has the molecular formula C24H14N4O and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile
PubChem CID11793799
Molecular FormulaC24H14N4O
Molecular Weight374.40 g/mol
Exact Mass374.12
IUPAC Name2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H14N4O/c25-14-20(15-26)24(16-27)19-8-12-23(13-9-19)28(21-4-2-1-3-5-21)22-10-6-18(17-29)7-11-22/h1-13,17H
InChIKeyBZRVQJKHFIJCJX-UHFFFAOYSA-N
XLogP5.29
TPSA91.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
(E)-2-(4-methylphenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]but-2-enedinitrile
CID 134194684
4-(4-formyl-N-(4-formylphenyl)anilino)benzoic acid
CID 87579958
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
2-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]anilino)phenyl]ethene-1,1,2-tricarbonitrile
CID 23509211
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
(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
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
2-[3-[(E)-2-[4-(N-(4-formylphenyl)anilino)phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 122383227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile (CID 11793799) is 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)c1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile?
The InChIKey is BZRVQJKHFIJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O/c25-14-20(15-26)24(16-27)19-8-12-23(13-9-19)28(21-4-2-1-3-5-21)22-10-6-18(17-29)7-11-22/h1-13,17H.
What are the key properties of 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile?
2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile has a molecular weight of 374.40 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 11793799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).