1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine

C26H28N2O6 — CID 71343645

IUPAC1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c(OC)c3OC)cc2)c(OC)c1OC
InChIInChI=1S/C26H28N2O6/c1-29-21-13-7-17(23(31-3)25(21)33-5)15-27-19-9-11-20(12-10-19)28-16-18-8-14-22(30-2)26(34-6)24(18)32-4/h7-16H,1-6H3/b27-15+,28-16+
InChIKeyWJDJLBSZUUJGOT-DPCVLPDWSA-N
MW464.52 g/mol
LogP5.24
Rot. Bonds10

About 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine

1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine (PubChem CID 71343645) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
PubChem CID71343645
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c(OC)c3OC)cc2)c(OC)c1OC
InChIInChI=1S/C26H28N2O6/c1-29-21-13-7-17(23(31-3)25(21)33-5)15-27-19-9-11-20(12-10-19)28-16-18-8-14-22(30-2)26(34-6)24(18)32-4/h7-16H,1-6H3/b27-15+,28-16+
InChIKeyWJDJLBSZUUJGOT-DPCVLPDWSA-N
XLogP5.24
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1275154
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5402147
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 3899999

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine (CID 71343645) is 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine is COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)c(OC)c3OC)cc2)c(OC)c1OC.
What is the InChIKey of 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine?
The InChIKey is WJDJLBSZUUJGOT-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-29-21-13-7-17(23(31-3)25(21)33-5)15-27-19-9-11-20(12-10-19)28-16-18-8-14-22(30-2)26(34-6)24(18)32-4/h7-16H,1-6H3/b27-15+,28-16+.
What are the key properties of 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine?
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine has a molecular weight of 464.52 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 71343645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).