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

C48H34N4O2 — CID 89337671

IUPAC2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccc(O)cc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C48H34N4O2/c49-33-39-32-38(18-12-36-15-21-44(22-16-36)52(42-9-5-2-6-10-42)46-25-29-48(54)30-26-46)40(34-50)31-37(39)17-11-35-13-19-43(20-14-35)51(41-7-3-1-4-8-41)45-23-27-47(53)28-24-45/h1-32,53-54H
InChIKeyWEBWJBZKYDXXAG-UHFFFAOYSA-N
MW698.83 g/mol
LogP12.12
Rot. Bonds10

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

2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (PubChem CID 89337671) has the molecular formula C48H34N4O2 and a molecular weight of 698.83 g/mol. Its IUPAC name is 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
PubChem CID89337671
Molecular FormulaC48H34N4O2
Molecular Weight698.83 g/mol
Exact Mass698.27
IUPAC Name2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccc(O)cc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C48H34N4O2/c49-33-39-32-38(18-12-36-15-21-44(22-16-36)52(42-9-5-2-6-10-42)46-25-29-48(54)30-26-46)40(34-50)31-37(39)17-11-35-13-19-43(20-14-35)51(41-7-3-1-4-8-41)45-23-27-47(53)28-24-45/h1-32,53-54H
InChIKeyWEBWJBZKYDXXAG-UHFFFAOYSA-N
XLogP12.12
TPSA94.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 512.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
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
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
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
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
CID 175751251
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile (CID 89337671) is 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is N#Cc1cc(C=Cc2ccc(N(c3ccccc3)c3ccc(O)cc3)cc2)c(C#N)cc1C=Cc1ccc(N(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
The InChIKey is WEBWJBZKYDXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O2/c49-33-39-32-38(18-12-36-15-21-44(22-16-36)52(42-9-5-2-6-10-42)46-25-29-48(54)30-26-46)40(34-50)31-37(39)17-11-35-13-19-43(20-14-35)51(41-7-3-1-4-8-41)45-23-27-47(53)28-24-45/h1-32,53-54H.
What are the key properties of 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile?
2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile has a molecular weight of 698.83 g/mol, XLogP of 12.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-[4-(N-(4-hydroxyphenyl)anilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 89337671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).