4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide

C21H16N2O2 — CID 22301035

IUPAC4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C21H16N2O2/c22-15-20(19-10-12-21(13-11-19)23(24)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14,23-24H/b20-14-
InChIKeyYYCFZTDXWRTFHY-ZHZULCJRSA-N
MW328.37 g/mol
LogP3.82
Rot. Bonds4

About 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide

4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide (PubChem CID 22301035) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide
PubChem CID22301035
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C21H16N2O2/c22-15-20(19-10-12-21(13-11-19)23(24)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14,23-24H/b20-14-
InChIKeyYYCFZTDXWRTFHY-ZHZULCJRSA-N
XLogP3.82
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_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

(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
4-[(Z)-1-cyano-2-(4-hydroxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22299045
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
4-[(E)-1-cyano-2-(2-hydroxynaphthalen-1-yl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22301037
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 102262269
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile
CID 135398456

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide (CID 22301035) is 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide is N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc([NH+]([O-])O)cc1.
What is the InChIKey of 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
The InChIKey is YYCFZTDXWRTFHY-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H16N2O2/c22-15-20(19-10-12-21(13-11-19)23(24)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14,23-24H/b20-14-.
What are the key properties of 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide?
4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide has a molecular weight of 328.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 22301035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).