1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine

C19H14BrN3 — CID 3413536

IUPAC1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESBrc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H14BrN3/c20-16-6-4-5-15(13-16)14-21-17-9-11-19(12-10-17)23-22-18-7-2-1-3-8-18/h1-14H/b21-14+,23-22+
InChIKeyYGEPNWRDCMNJAE-XDJDQNRRSA-N
MW364.25 g/mol
LogP6.62
Rot. Bonds4

About 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine

1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 3413536) has the molecular formula C19H14BrN3 and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID3413536
Molecular FormulaC19H14BrN3
Molecular Weight364.25 g/mol
Exact Mass363.04
IUPAC Name1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESBrc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H14BrN3/c20-16-6-4-5-15(13-16)14-21-17-9-11-19(12-10-17)23-22-18-7-2-1-3-8-18/h1-14H/b21-14+,23-22+
InChIKeyYGEPNWRDCMNJAE-XDJDQNRRSA-N
XLogP6.62
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 56.62
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-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine (CID 3413536) is 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine is Brc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is YGEPNWRDCMNJAE-XDJDQNRRSA-N. The full InChI is InChI=1S/C19H14BrN3/c20-16-6-4-5-15(13-16)14-21-17-9-11-19(12-10-17)23-22-18-7-2-1-3-8-18/h1-14H/b21-14+,23-22+.
What are the key properties of 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 364.25 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 3413536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).