5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile

C23H17N3O2 — CID 67930478

IUPAC5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
SMILESN#Cc1cc(C=Cc2ccc(C=Cc3ccc(N)cc3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H17N3O2/c24-16-21-15-20(11-14-23(21)26(27)28)8-7-18-3-1-17(2-4-18)5-6-19-9-12-22(25)13-10-19/h1-15H,25H2
InChIKeyQWBIZYVEYLANPM-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.39
Rot. Bonds5

About 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile

5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile (PubChem CID 67930478) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile.

Molecular Properties

Compound Name5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
PubChem CID67930478
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
SMILESN#Cc1cc(C=Cc2ccc(C=Cc3ccc(N)cc3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H17N3O2/c24-16-21-15-20(11-14-23(21)26(27)28)8-7-18-3-1-17(2-4-18)5-6-19-9-12-22(25)13-10-19/h1-15H,25H2
InChIKeyQWBIZYVEYLANPM-UHFFFAOYSA-N
XLogP5.39
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-nitrobenzonitrile
CID 53400683
N-[4-[(E)-2-(3-cyano-4-nitrophenyl)ethenyl]phenyl]acetamide
CID 67930388
4-[(E)-2-(3-fluoro-4-nitrophenyl)ethenyl]aniline
CID 59085127
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
2-nitro-5-[2-[4-(tetradecylamino)phenyl]ethenyl]benzonitrile
CID 67930433
5-[2-[4-[2-[4-(dioctadecylamino)phenyl]ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile
CID 67930421
2-nitro-5-propan-2-ylbenzonitrile
CID 100963233
5-[(E)-2-[4-[4-(dihexadecylamino)phenyl]phenyl]ethenyl]-2-nitrobenzonitrile
CID 67930547
5-[1-(4-aminophenyl)ethylamino]-2-nitrobenzonitrile
CID 116650565
5-[(E)-2-[5-[(E)-2-[4-(didecylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-nitrobenzonitrile
CID 67930637
5-[4-(3-cyano-4-nitrophenoxy)phenoxy]-2-nitrobenzonitrile
CID 57110748
(E)-3-(4-cyano-3-nitrophenyl)prop-2-enoic acid
CID 90150539

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile?
The IUPAC name of 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile (CID 67930478) is 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile.
What is the SMILES notation for 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile?
The canonical SMILES for 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile is N#Cc1cc(C=Cc2ccc(C=Cc3ccc(N)cc3)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile?
The InChIKey is QWBIZYVEYLANPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c24-16-21-15-20(11-14-23(21)26(27)28)8-7-18-3-1-17(2-4-18)5-6-19-9-12-22(25)13-10-19/h1-15H,25H2.
What are the key properties of 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile?
5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile has a molecular weight of 367.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]-2-nitrobenzonitrile is sourced from PubChem (CID 67930478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).