1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene

C14H8N4O8 — CID 6106908

IUPAC1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O8/c19-15(20)11-5-3-9(13(7-11)17(23)24)1-2-10-4-6-12(16(21)22)8-14(10)18(25)26/h1-8H/b2-1+
InChIKeyRIXMHPATNAIPPM-OWOJBTEDSA-N
MW360.24 g/mol
LogP3.49
Rot. Bonds6

About 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene (PubChem CID 6106908) has the molecular formula C14H8N4O8 and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
PubChem CID6106908
Molecular FormulaC14H8N4O8
Molecular Weight360.24 g/mol
Exact Mass360.03
IUPAC Name1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O8/c19-15(20)11-5-3-9(13(7-11)17(23)24)1-2-10-4-6-12(16(21)22)8-14(10)18(25)26/h1-8H/b2-1+
InChIKeyRIXMHPATNAIPPM-OWOJBTEDSA-N
XLogP3.49
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
CID 122232545
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
2-[2-(2,4-dinitrophenyl)ethenyl]anthracene-9,10-dione
CID 2749492
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
5-nitro-2-[2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
CID 4216510
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
CID 101222114
2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
CID 154388068

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene?
The IUPAC name of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene (CID 6106908) is 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene.
What is the SMILES notation for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene?
The canonical SMILES for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene?
The InChIKey is RIXMHPATNAIPPM-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H8N4O8/c19-15(20)11-5-3-9(13(7-11)17(23)24)1-2-10-4-6-12(16(21)22)8-14(10)18(25)26/h1-8H/b2-1+.
What are the key properties of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene?
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene has a molecular weight of 360.24 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene is sourced from PubChem (CID 6106908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).