1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene

C14H10N2O4 — CID 622998

IUPAC1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H10N2O4/c17-15(18)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(19)20/h1-10H
InChIKeyDUTMIVLDFHVUNY-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.67
Rot. Bonds4

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

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene (PubChem CID 622998) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
PubChem CID622998
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H10N2O4/c17-15(18)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(19)20/h1-10H
InChIKeyDUTMIVLDFHVUNY-UHFFFAOYSA-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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Related Compounds

3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
CID 175409039
CID 175409039
3-(3-nitrophenyl)prop-2-enamide
CID 692292
N,N'-bis[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]methanediamine
CID 102327818
1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyrrole
CID 10036726
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
N-hydroxy-1-(3-nitrophenyl)methanimine oxide
CID 12527293
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene (CID 622998) is 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1cccc(C=Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene?
The InChIKey is DUTMIVLDFHVUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-15(18)13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)16(19)20/h1-10H.
What are the key properties of 1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene?
1-nitro-3-[2-(3-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-3-[2-(3-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 622998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).