1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene

C14H8Br2N2O4 — CID 10387830

IUPAC1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C(Br)=C(/Br)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H8Br2N2O4/c15-13(9-1-5-11(6-2-9)17(19)20)14(16)10-3-7-12(8-4-10)18(21)22/h1-8H/b14-13-
InChIKeyZPBUQCLSVVZITJ-YPKPFQOOSA-N
MW428.04 g/mol
LogP5.12
Rot. Bonds4

About 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene

1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene (PubChem CID 10387830) has the molecular formula C14H8Br2N2O4 and a molecular weight of 428.04 g/mol. Its IUPAC name is 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
PubChem CID10387830
Molecular FormulaC14H8Br2N2O4
Molecular Weight428.04 g/mol
Exact Mass425.89
IUPAC Name1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C(Br)=C(/Br)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H8Br2N2O4/c15-13(9-1-5-11(6-2-9)17(19)20)14(16)10-3-7-12(8-4-10)18(21)22/h1-8H/b14-13-
InChIKeyZPBUQCLSVVZITJ-YPKPFQOOSA-N
XLogP5.12
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.04
LogP ≤ 55.12
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'}

Analyze 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitrobenzoate;vanadium
CID 172712620
1-nitro-4-(1,2,2-triiodoethenyl)benzene
CID 3671977
1-(1,1-dibromobut-1-en-2-yl)-4-nitrobenzene
CID 129137304
(Z)-3-bromo-3-(4-nitrophenyl)prop-2-enoate
CID 6931856
potassium;hydride;4-nitrobenzenecarbothioic S-acid
CID 173400716
1-(1-fluoroethenyl)-4-nitrobenzene
CID 11205987
cesium;hydride;4-nitrobenzoic acid
CID 174438488
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
1-(4-nitrophenyl)ethenethiol
CID 175251308
1,4-dinitrobenzene;nitrous acid
CID 174371180
4-nitrophenol
CID 88714583
4-nitrobenzoic acid;trimethylsilane
CID 175438853

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene (CID 10387830) is 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene is O=[N+]([O-])c1ccc(/C(Br)=C(/Br)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene?
The InChIKey is ZPBUQCLSVVZITJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H8Br2N2O4/c15-13(9-1-5-11(6-2-9)17(19)20)14(16)10-3-7-12(8-4-10)18(21)22/h1-8H/b14-13-.
What are the key properties of 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene?
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene has a molecular weight of 428.04 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene is sourced from PubChem (CID 10387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).