1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine

C23H16N4O2 — CID 1377873

IUPAC1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C23H16N4O2/c28-27(29)22-12-6-17(7-13-22)14-24-21-10-8-18(9-11-21)20-15-25-23(26-16-20)19-4-2-1-3-5-19/h1-16H/b24-14+
InChIKeyJKZOOQYIYHALOU-ZVHZXABRSA-N
MW380.41 g/mol
LogP5.47
Rot. Bonds5

About 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine

1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine (PubChem CID 1377873) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine
PubChem CID1377873
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)nc3)cc2)cc1
InChIInChI=1S/C23H16N4O2/c28-27(29)22-12-6-17(7-13-22)14-24-21-10-8-18(9-11-21)20-15-25-23(26-16-20)19-4-2-1-3-5-19/h1-16H/b24-14+
InChIKeyJKZOOQYIYHALOU-ZVHZXABRSA-N
XLogP5.47
TPSA81.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine
CID 22416333
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-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 155545055
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine (CID 1377873) is 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cnc(-c4ccccc4)nc3)cc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine?
The InChIKey is JKZOOQYIYHALOU-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-27(29)22-12-6-17(7-13-22)14-24-21-10-8-18(9-11-21)20-15-25-23(26-16-20)19-4-2-1-3-5-19/h1-16H/b24-14+.
What are the key properties of 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine?
1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine has a molecular weight of 380.41 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine is sourced from PubChem (CID 1377873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).