4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline

C19H15N3O2 — CID 787997

IUPAC4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-12-6-15(7-13-19)14-20-16-8-10-18(11-9-16)21-17-4-2-1-3-5-17/h1-14,21H/b20-14+
InChIKeyGYZVQGLUUUNHAT-XSFVSMFZSA-N
MW317.35 g/mol
LogP5.09
Rot. Bonds5

About 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline

4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline (PubChem CID 787997) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
PubChem CID787997
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15N3O2/c23-22(24)19-12-6-15(7-13-19)14-20-16-8-10-18(11-9-16)21-17-4-2-1-3-5-17/h1-14,21H/b20-14+
InChIKeyGYZVQGLUUUNHAT-XSFVSMFZSA-N
XLogP5.09
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine
CID 1377873
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
1-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 6864430

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline (CID 787997) is 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline is O=[N+]([O-])c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline?
The InChIKey is GYZVQGLUUUNHAT-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-22(24)19-12-6-15(7-13-19)14-20-16-8-10-18(11-9-16)21-17-4-2-1-3-5-17/h1-14,21H/b20-14+.
What are the key properties of 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline?
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline has a molecular weight of 317.35 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 787997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).