1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C14H10N2O4 — CID 5377860

IUPAC1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+
InChIKeyCLVIIRIMEIEKOQ-OWOJBTEDSA-N
MW270.24 g/mol
LogP3.67
Rot. Bonds4

About 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene

1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 5377860) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID5377860
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+
InChIKeyCLVIIRIMEIEKOQ-OWOJBTEDSA-N
XLogP3.67
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 5377860) is 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is CLVIIRIMEIEKOQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+.
What are the key properties of 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 270.24 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 5377860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).