1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene

C23H19NO2 — CID 23386675

IUPAC1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1
InChIInChI=1S/C23H19NO2/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)15-16-22-3-2-4-23(17-22)24(25)26/h2-17H,1H3/b10-9+,16-15+
InChIKeyQIPDFABHMSLWQM-DSIBUQCCSA-N
MW341.41 g/mol
LogP6.24
Rot. Bonds5

About 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene

1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene (PubChem CID 23386675) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
PubChem CID23386675
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1
InChIInChI=1S/C23H19NO2/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)15-16-22-3-2-4-23(17-22)24(25)26/h2-17H,1H3/b10-9+,16-15+
InChIKeyQIPDFABHMSLWQM-DSIBUQCCSA-N
XLogP6.24
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
N,N'-bis[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]methanediamine
CID 102327818
3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 2795411
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
N-(4-methylphenyl)-4,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-amine
CID 6163011
1-[3-(4-methylphenyl)-3-[1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-3-nitrobenzene
CID 173033162
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyrrole
CID 10036726
3-(3-nitrophenyl)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
CID 2776718

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene?
The IUPAC name of 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene (CID 23386675) is 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene?
The canonical SMILES for 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene is Cc1ccc(/C=C/c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1.
What is the InChIKey of 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene?
The InChIKey is QIPDFABHMSLWQM-DSIBUQCCSA-N. The full InChI is InChI=1S/C23H19NO2/c1-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)15-16-22-3-2-4-23(17-22)24(25)26/h2-17H,1H3/b10-9+,16-15+.
What are the key properties of 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene?
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene has a molecular weight of 341.41 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene is sourced from PubChem (CID 23386675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).