1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine

C19H14N2O2 — CID 102486520

IUPAC1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H14N2O2/c22-21(23)19-11-9-15(10-12-19)14-20-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H/b20-14+
InChIKeyDEPKBIFUJLGOBH-XSFVSMFZSA-N
MW302.33 g/mol
LogP5.01
Rot. Bonds4

About 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine

1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine (PubChem CID 102486520) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
PubChem CID102486520
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H14N2O2/c22-21(23)19-11-9-15(10-12-19)14-20-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H/b20-14+
InChIKeyDEPKBIFUJLGOBH-XSFVSMFZSA-N
XLogP5.01
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine (CID 102486520) is 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine?
The InChIKey is DEPKBIFUJLGOBH-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-21(23)19-11-9-15(10-12-19)14-20-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-14H/b20-14+.
What are the key properties of 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine?
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine has a molecular weight of 302.33 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine is sourced from PubChem (CID 102486520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).