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

C20H14N4O4 — CID 633073

IUPACN-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C20H14N4O4/c25-23(26)19-9-3-16(4-10-19)14-21-17-5-1-15(2-6-17)13-22-18-7-11-20(12-8-18)24(27)28/h1-14H/b21-14+,22-13+
InChIKeySAWAOQUIWRMQBW-ZEXDNOMMSA-N
MW374.36 g/mol
LogP5.00
Rot. Bonds6

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

N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine (PubChem CID 633073) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine
PubChem CID633073
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC NameN-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C20H14N4O4/c25-23(26)19-9-3-16(4-10-19)14-21-17-5-1-15(2-6-17)13-22-18-7-11-20(12-8-18)24(27)28/h1-14H/b21-14+,22-13+
InChIKeySAWAOQUIWRMQBW-ZEXDNOMMSA-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 N-(4-nitrophenyl)-1-[4-[(4-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 N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine?
The IUPAC name of N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine (CID 633073) is N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine?
The InChIKey is SAWAOQUIWRMQBW-ZEXDNOMMSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-23(26)19-9-3-16(4-10-19)14-21-17-5-1-15(2-6-17)13-22-18-7-11-20(12-8-18)24(27)28/h1-14H/b21-14+,22-13+.
What are the key properties of N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine?
N-(4-nitrophenyl)-1-[4-[(4-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 N-(4-nitrophenyl)-1-[4-[(4-nitrophenyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 633073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).