1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine

C20H14N4O4 — CID 2197841

IUPAC1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O4/c25-23(26)19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24(27)28/h1-14H/b21-13+,22-14+
InChIKeyFSKUVTXSZTZMPW-JFMUQQRKSA-N
MW374.36 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine

1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine (PubChem CID 2197841) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine
PubChem CID2197841
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O4/c25-23(26)19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24(27)28/h1-14H/b21-13+,22-14+
InChIKeyFSKUVTXSZTZMPW-JFMUQQRKSA-N
XLogP5.00
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine (CID 2197841) is 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine is O=[N+]([O-])c1ccccc1/C=N/c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine?
The InChIKey is FSKUVTXSZTZMPW-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-23(26)19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24(27)28/h1-14H/b21-13+,22-14+.
What are the key properties of 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine?
1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine has a molecular weight of 374.36 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-[4-[(2-nitrophenyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 2197841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).