1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine

C28H22N4O7 — CID 3951900

IUPAC1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C28H22N4O7/c1-37-27-13-3-19(15-25(27)31(33)34)17-29-21-5-9-23(10-6-21)39-24-11-7-22(8-12-24)30-18-20-4-14-28(38-2)26(16-20)32(35)36/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyNLSGRRRXJUPKMM-YAGSLNJISA-N
MW526.51 g/mol
LogP6.81
Rot. Bonds10

About 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine

1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine (PubChem CID 3951900) has the molecular formula C28H22N4O7 and a molecular weight of 526.51 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
PubChem CID3951900
Molecular FormulaC28H22N4O7
Molecular Weight526.51 g/mol
Exact Mass526.15
IUPAC Name1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C28H22N4O7/c1-37-27-13-3-19(15-25(27)31(33)34)17-29-21-5-9-23(10-6-21)39-24-11-7-22(8-12-24)30-18-20-4-14-28(38-2)26(16-20)32(35)36/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyNLSGRRRXJUPKMM-YAGSLNJISA-N
XLogP6.81
TPSA138.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]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

Related Compounds

1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
[4-[[4-[[4-(4-methoxybenzoyl)oxy-3-nitrophenyl]methylideneamino]phenyl]iminomethyl]-2-nitrophenyl] 4-methoxybenzoate
CID 5036166
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
1-[4-(2,4-dinitrophenoxy)phenyl]-N-(3,4,5-trimethoxyphenyl)methanimine
CID 35269252
4-methoxy-3-nitrobenzaldehyde
CID 700608
2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114
1-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126206396
1-[4-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]phenyl]ethanone
CID 5073272
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
1-(4-methoxy-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 3943394
butyl 4-[[4-(4-methoxybenzoyl)oxy-3-nitrophenyl]methylideneamino]benzoate
CID 3946516
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine?
The IUPAC name of 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine (CID 3951900) is 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine?
The canonical SMILES for 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine is COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine?
The InChIKey is NLSGRRRXJUPKMM-YAGSLNJISA-N. The full InChI is InChI=1S/C28H22N4O7/c1-37-27-13-3-19(15-25(27)31(33)34)17-29-21-5-9-23(10-6-21)39-24-11-7-22(8-12-24)30-18-20-4-14-28(38-2)26(16-20)32(35)36/h3-18H,1-2H3/b29-17+,30-18+.
What are the key properties of 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine?
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine has a molecular weight of 526.51 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine is sourced from PubChem (CID 3951900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).