1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine

C19H14ClN3 — CID 5121481

IUPAC1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C19H14ClN3/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)23-22-18-4-2-1-3-5-18/h1-14H/b21-14+,23-22+
InChIKeyDODPHFHLGDVPDB-XDJDQNRRSA-N
MW319.80 g/mol
LogP6.51
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine

1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 5121481) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID5121481
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESClc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C19H14ClN3/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)23-22-18-4-2-1-3-5-18/h1-14H/b21-14+,23-22+
InChIKeyDODPHFHLGDVPDB-XDJDQNRRSA-N
XLogP6.51
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 56.51
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-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine (CID 5121481) is 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine is Clc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is DODPHFHLGDVPDB-XDJDQNRRSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)23-22-18-4-2-1-3-5-18/h1-14H/b21-14+,23-22+.
What are the key properties of 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 319.80 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 5121481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).