1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine

C26H16Cl4N2 — CID 3484216

IUPAC1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc(-c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)cc1
InChIInChI=1S/C26H16Cl4N2/c27-23-3-1-4-24(28)21(23)15-31-19-11-7-17(8-12-19)18-9-13-20(14-10-18)32-16-22-25(29)5-2-6-26(22)30/h1-16H/b31-15+,32-16+
InChIKeyWQFCCMUJTRUDSY-IHXWQEJPSA-N
MW498.24 g/mol
LogP9.47
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine

1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 3484216) has the molecular formula C26H16Cl4N2 and a molecular weight of 498.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID3484216
Molecular FormulaC26H16Cl4N2
Molecular Weight498.24 g/mol
Exact Mass496.01
IUPAC Name1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc(-c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)cc1
InChIInChI=1S/C26H16Cl4N2/c27-23-3-1-4-24(28)21(23)15-31-19-11-7-17(8-12-19)18-9-13-20(14-10-18)32-16-22-25(29)5-2-6-26(22)30/h1-16H/b31-15+,32-16+
InChIKeyWQFCCMUJTRUDSY-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-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (CID 3484216) is 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is Clc1cccc(Cl)c1/C=N/c1ccc(-c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is WQFCCMUJTRUDSY-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H16Cl4N2/c27-23-3-1-4-24(28)21(23)15-31-19-11-7-17(8-12-19)18-9-13-20(14-10-18)32-16-22-25(29)5-2-6-26(22)30/h1-16H/b31-15+,32-16+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-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-(2,6-dichlorophenyl)-N-[4-[4-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 3484216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).