4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile

C48H34N4 — CID 102485481

IUPAC4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2cc(N(c3ccccc3)c3ccccc3)c(/C=C/c3ccc(C#N)cc3)cc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H34N4/c49-35-39-25-21-37(22-26-39)29-31-41-34-48(52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(32-30-38-23-27-40(36-50)28-24-38)33-47(41)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H/b31-29+,32-30+
InChIKeyZEDSZKKSDJTMNT-JWTBXLROSA-N
MW666.83 g/mol
LogP12.71
Rot. Bonds10

About 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile

4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile (PubChem CID 102485481) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
PubChem CID102485481
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2cc(N(c3ccccc3)c3ccccc3)c(/C=C/c3ccc(C#N)cc3)cc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H34N4/c49-35-39-25-21-37(22-26-39)29-31-41-34-48(52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(32-30-38-23-27-40(36-50)28-24-38)33-47(41)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H/b31-29+,32-30+
InChIKeyZEDSZKKSDJTMNT-JWTBXLROSA-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-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
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
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
1-methyl-8-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenanthrene-3,6-dicarbonitrile
CID 163921595
4-[2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]benzonitrile
CID 70163477
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile (CID 102485481) is 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2cc(N(c3ccccc3)c3ccccc3)c(/C=C/c3ccc(C#N)cc3)cc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile?
The InChIKey is ZEDSZKKSDJTMNT-JWTBXLROSA-N. The full InChI is InChI=1S/C48H34N4/c49-35-39-25-21-37(22-26-39)29-31-41-34-48(52(45-17-9-3-10-18-45)46-19-11-4-12-20-46)42(32-30-38-23-27-40(36-50)28-24-38)33-47(41)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44/h1-34H/b31-29+,32-30+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile?
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile 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 4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 102485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).