4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline

C21H15N5O6 — CID 3736689

IUPAC4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=C/C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H15N5O6/c27-24(28)18-7-1-15(2-8-18)21(23-17-5-11-20(12-6-17)26(31)32)13-14-22-16-3-9-19(10-4-16)25(29)30/h1-14,23H/b21-13?,22-14+
InChIKeyRDYVHGRXIBUGHU-KEUCGCLVSA-N
MW433.38 g/mol
LogP5.27
Rot. Bonds8

About 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline

4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline (PubChem CID 3736689) has the molecular formula C21H15N5O6 and a molecular weight of 433.38 g/mol. Its IUPAC name is 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline.

Molecular Properties

Compound Name4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
PubChem CID3736689
Molecular FormulaC21H15N5O6
Molecular Weight433.38 g/mol
Exact Mass433.10
IUPAC Name4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=C/C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H15N5O6/c27-24(28)18-7-1-15(2-8-18)21(23-17-5-11-20(12-6-17)26(31)32)13-14-22-16-3-9-19(10-4-16)25(29)30/h1-14,23H/b21-13?,22-14+
InChIKeyRDYVHGRXIBUGHU-KEUCGCLVSA-N
XLogP5.27
TPSA153.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline 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

N-[(E)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline
CID 101386209
N-[1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 2801837
N-[(Z)-1-(2-nitrophenyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride
CID 11617826
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
N-[4-(methanesulfonamido)phenyl]-4-nitrobenzenecarboximidoyl chloride
CID 18948540

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline?
The IUPAC name of 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline (CID 3736689) is 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline.
What is the SMILES notation for 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline?
The canonical SMILES for 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline is O=[N+]([O-])c1ccc(/N=C/C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline?
The InChIKey is RDYVHGRXIBUGHU-KEUCGCLVSA-N. The full InChI is InChI=1S/C21H15N5O6/c27-24(28)18-7-1-15(2-8-18)21(23-17-5-11-20(12-6-17)26(31)32)13-14-22-16-3-9-19(10-4-16)25(29)30/h1-14,23H/b21-13?,22-14+.
What are the key properties of 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline?
4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline has a molecular weight of 433.38 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline is sourced from PubChem (CID 3736689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).