1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene

C23H19NO3 — CID 67928044

IUPAC1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cccc(C=Cc3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H19NO3/c1-27-23-15-11-19(12-16-23)6-8-21-4-2-3-20(17-21)7-5-18-9-13-22(14-10-18)24(25)26/h2-17H,1H3
InChIKeyIKAQUUMZEDHEFD-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.94
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene

1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 67928044) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
PubChem CID67928044
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cccc(C=Cc3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H19NO3/c1-27-23-15-11-19(12-16-23)6-8-21-4-2-3-20(17-21)7-5-18-9-13-22(14-10-18)24(25)26/h2-17H,1H3
InChIKeyIKAQUUMZEDHEFD-UHFFFAOYSA-N
XLogP5.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
4-methoxy-6-[(E)-2-(4-nitrophenyl)ethenyl]pyran-2-one
CID 158493032
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 154194561
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
6-methoxy-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 67237007
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 155277900
4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one
CID 10423415
5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole
CID 176905162
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene (CID 67928044) is 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene is COc1ccc(C=Cc2cccc(C=Cc3ccc([N+](=O)[O-])cc3)c2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is IKAQUUMZEDHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-23-15-11-19(12-16-23)6-8-21-4-2-3-20(17-21)7-5-18-9-13-22(14-10-18)24(25)26/h2-17H,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene?
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 357.41 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 67928044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).