1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine

C19H13Cl2N3 — CID 4505752

IUPAC1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H13Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)24-23-15-5-2-1-3-6-15/h1-13H/b22-13+,24-23+
InChIKeyBAPKSYCAXZDVIA-QTANEOQUSA-N
MW354.24 g/mol
LogP7.16
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine

1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 4505752) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID4505752
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESClc1cccc(Cl)c1/C=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H13Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)24-23-15-5-2-1-3-6-15/h1-13H/b22-13+,24-23+
InChIKeyBAPKSYCAXZDVIA-QTANEOQUSA-N
XLogP7.16
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine (CID 4505752) is 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine is Clc1cccc(Cl)c1/C=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is BAPKSYCAXZDVIA-QTANEOQUSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)24-23-15-5-2-1-3-6-15/h1-13H/b22-13+,24-23+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 354.24 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 4505752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).