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

C26H16Cl4N2 — CID 86208216

IUPAC1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccccc1-c1ccccc1/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C26H16Cl4N2/c27-21-9-5-10-22(28)19(21)15-31-25-13-3-1-7-17(25)18-8-2-4-14-26(18)32-16-20-23(29)11-6-12-24(20)30/h1-16H/b31-15+,32-16+
InChIKeyBYAYKICBPFLPPJ-IHXWQEJPSA-N
MW498.24 g/mol
LogP9.47
Rot. Bonds5

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

1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 86208216) has the molecular formula C26H16Cl4N2 and a molecular weight of 498.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID86208216
Molecular FormulaC26H16Cl4N2
Molecular Weight498.24 g/mol
Exact Mass496.01
IUPAC Name1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccccc1-c1ccccc1/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C26H16Cl4N2/c27-21-9-5-10-22(28)19(21)15-31-25-13-3-1-7-17(25)18-8-2-4-14-26(18)32-16-20-23(29)11-6-12-24(20)30/h1-16H/b31-15+,32-16+
InChIKeyBYAYKICBPFLPPJ-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-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine (CID 86208216) is 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is Clc1cccc(Cl)c1/C=N/c1ccccc1-c1ccccc1/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is BYAYKICBPFLPPJ-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H16Cl4N2/c27-21-9-5-10-22(28)19(21)15-31-25-13-3-1-7-17(25)18-8-2-4-14-26(18)32-16-20-23(29)11-6-12-24(20)30/h1-16H/b31-15+,32-16+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(2,6-dichlorophenyl)-N-[2-[2-[(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-[2-[2-[(2,6-dichlorophenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 86208216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).