2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile

C48H34N4 — CID 57074916

IUPAC2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H34N4/c49-35-41-34-40(28-22-38-25-31-48(32-26-38)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(36-50)33-39(41)27-21-37-23-29-47(30-24-37)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H
InChIKeyZSWYLXWFNZWDTD-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.71
Rot. Bonds10

About 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile

2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (PubChem CID 57074916) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
PubChem CID57074916
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H34N4/c49-35-41-34-40(28-22-38-25-31-48(32-26-38)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(36-50)33-39(41)27-21-37-23-29-47(30-24-37)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H
InChIKeyZSWYLXWFNZWDTD-UHFFFAOYSA-N
XLogP12.71
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 89337671
5-[3-cyano-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 101239718
5-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2-[2-[4-(dimethylamino)phenyl]ethenyl]-4-isocyanobenzonitrile
CID 59055958
2,5-bis[2-[4-(N-[4-(diethylamino)phenyl]anilino)phenyl]ethenyl]-4-isocyanobenzonitrile
CID 59041388
4-isocyano-2-[(Z)-2-(4-methylphenyl)ethenyl]-5-[(Z)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 157105695
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
2,5-bis[2-[4-(N-[4-(tert-butylamino)phenyl]anilino)phenyl]ethenyl]-4-isocyanobenzonitrile
CID 74010446
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 102485481
4-isocyano-2,5-bis[(Z)-2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 91009952

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (CID 57074916) is 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is N#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The InChIKey is ZSWYLXWFNZWDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c49-35-41-34-40(28-22-38-25-31-48(32-26-38)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(36-50)33-39(41)27-21-37-23-29-47(30-24-37)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H.
What are the key properties of 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile has a molecular weight of 666.83 g/mol, XLogP of 12.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 57074916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).