1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine

C26H16Cl2N4O4 — CID 3109084

IUPAC1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)cc2)c1
InChIInChI=1S/C26H16Cl2N4O4/c27-25-11-9-23(31(33)34)13-19(25)15-29-21-5-1-17(2-6-21)18-3-7-22(8-4-18)30-16-20-14-24(32(35)36)10-12-26(20)28/h1-16H/b29-15+,30-16+
InChIKeyMTZBTVUTDYUDQH-CMNXJCJSSA-N
MW519.34 g/mol
LogP7.98
Rot. Bonds7

About 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine

1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 3109084) has the molecular formula C26H16Cl2N4O4 and a molecular weight of 519.34 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID3109084
Molecular FormulaC26H16Cl2N4O4
Molecular Weight519.34 g/mol
Exact Mass518.05
IUPAC Name1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)cc2)c1
InChIInChI=1S/C26H16Cl2N4O4/c27-25-11-9-23(31(33)34)13-19(25)15-29-21-5-1-17(2-6-21)18-3-7-22(8-4-18)30-16-20-14-24(32(35)36)10-12-26(20)28/h1-16H/b29-15+,30-16+
InChIKeyMTZBTVUTDYUDQH-CMNXJCJSSA-N
XLogP7.98
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.34
LogP ≤ 57.98
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'}

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Related Compounds

1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
propyl 4-[(2-chloro-5-nitrophenyl)methylideneamino]benzoate
CID 4504807
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
CID 122518423
2-[(4-bromo-3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 2185227
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine (CID 3109084) is 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine is O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)cc2)c1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is MTZBTVUTDYUDQH-CMNXJCJSSA-N. The full InChI is InChI=1S/C26H16Cl2N4O4/c27-25-11-9-23(31(33)34)13-19(25)15-29-21-5-1-17(2-6-21)18-3-7-22(8-4-18)30-16-20-14-24(32(35)36)10-12-26(20)28/h1-16H/b29-15+,30-16+.
What are the key properties of 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine has a molecular weight of 519.34 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 3109084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).