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

C26H16Cl4N2 — CID 2195700

IUPAC1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C26H16Cl4N2/c27-21-7-1-19(25(29)13-21)15-31-23-9-3-17(4-10-23)18-5-11-24(12-6-18)32-16-20-2-8-22(28)14-26(20)30/h1-16H/b31-15+,32-16+
InChIKeyGBDZKHYLYLAEIT-IHXWQEJPSA-N
MW498.24 g/mol
LogP9.47
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 2195700) has the molecular formula C26H16Cl4N2 and a molecular weight of 498.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID2195700
Molecular FormulaC26H16Cl4N2
Molecular Weight498.24 g/mol
Exact Mass496.01
IUPAC Name1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C26H16Cl4N2/c27-21-7-1-19(25(29)13-21)15-31-23-9-3-17(4-10-23)18-5-11-24(12-6-18)32-16-20-2-8-22(28)14-26(20)30/h1-16H/b31-15+,32-16+
InChIKeyGBDZKHYLYLAEIT-IHXWQEJPSA-N
XLogP9.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.24
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (CID 2195700) is 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is Clc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)cc2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is GBDZKHYLYLAEIT-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H16Cl4N2/c27-21-7-1-19(25(29)13-21)15-31-23-9-3-17(4-10-23)18-5-11-24(12-6-18)32-16-20-2-8-22(28)14-26(20)30/h1-16H/b31-15+,32-16+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine has a molecular weight of 498.24 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 2195700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).