1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene

C22H14N4O8 — CID 95239992

IUPAC1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccccc1/C=C\c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O8/c27-23(28)19-7-3-1-5-15(19)9-11-17-13-18(22(26(33)34)14-21(17)25(31)32)12-10-16-6-2-4-8-20(16)24(29)30/h1-14H/b11-9-,12-10+
InChIKeyVYMJPXODFITBKT-DSOJMZEYSA-N
MW462.37 g/mol
LogP5.66
Rot. Bonds8

About 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene

1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene (PubChem CID 95239992) has the molecular formula C22H14N4O8 and a molecular weight of 462.37 g/mol. Its IUPAC name is 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
PubChem CID95239992
Molecular FormulaC22H14N4O8
Molecular Weight462.37 g/mol
Exact Mass462.08
IUPAC Name1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccccc1/C=C\c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O8/c27-23(28)19-7-3-1-5-15(19)9-11-17-13-18(22(26(33)34)14-21(17)25(31)32)12-10-16-6-2-4-8-20(16)24(29)30/h1-14H/b11-9-,12-10+
InChIKeyVYMJPXODFITBKT-DSOJMZEYSA-N
XLogP5.66
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.37
LogP ≤ 55.66
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

2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
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CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
1-[(E)-2-bromo-2-phenylethenyl]-2,4-dinitro-5-[(E)-2-phenylethenyl]benzene
CID 51521282
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
CID 15723624
sodium 2-nitrobenzaldehyde
CID 23669302
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015

Frequently Asked Questions

What is the IUPAC name of 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene (CID 95239992) is 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1ccccc1/C=C\c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene?
The InChIKey is VYMJPXODFITBKT-DSOJMZEYSA-N. The full InChI is InChI=1S/C22H14N4O8/c27-23(28)19-7-3-1-5-15(19)9-11-17-13-18(22(26(33)34)14-21(17)25(31)32)12-10-16-6-2-4-8-20(16)24(29)30/h1-14H/b11-9-,12-10+.
What are the key properties of 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene?
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene has a molecular weight of 462.37 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 95239992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).