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

C34H28N2O4 — CID 139076250

IUPAC1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(Oc3cccc(Oc4ccc(/N=C/c5ccc(OC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H28N2O4/c1-37-29-14-6-25(7-15-29)23-35-27-10-18-31(19-11-27)39-33-4-3-5-34(22-33)40-32-20-12-28(13-21-32)36-24-26-8-16-30(38-2)17-9-26/h3-24H,1-2H3/b35-23+,36-24+
InChIKeyZVYJUOPRIDILNV-VJTPSNAYSA-N
MW528.61 g/mol
LogP8.79
Rot. Bonds10

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

1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine (PubChem CID 139076250) has the molecular formula C34H28N2O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine
PubChem CID139076250
Molecular FormulaC34H28N2O4
Molecular Weight528.61 g/mol
Exact Mass528.20
IUPAC Name1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(Oc3cccc(Oc4ccc(/N=C/c5ccc(OC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C34H28N2O4/c1-37-29-14-6-25(7-15-29)23-35-27-10-18-31(19-11-27)39-33-4-3-5-34(22-33)40-32-20-12-28(13-21-32)36-24-26-8-16-30(38-2)17-9-26/h3-24H,1-2H3/b35-23+,36-24+
InChIKeyZVYJUOPRIDILNV-VJTPSNAYSA-N
XLogP8.79
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine (CID 139076250) is 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine is COc1ccc(/C=N/c2ccc(Oc3cccc(Oc4ccc(/N=C/c5ccc(OC)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine?
The InChIKey is ZVYJUOPRIDILNV-VJTPSNAYSA-N. The full InChI is InChI=1S/C34H28N2O4/c1-37-29-14-6-25(7-15-29)23-35-27-10-18-31(19-11-27)39-33-4-3-5-34(22-33)40-32-20-12-28(13-21-32)36-24-26-8-16-30(38-2)17-9-26/h3-24H,1-2H3/b35-23+,36-24+.
What are the key properties of 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine?
1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine has a molecular weight of 528.61 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-[3-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]phenoxy]phenyl]methanimine is sourced from PubChem (CID 139076250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).