N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine

C17H12N2O2 — CID 826826

IUPACN-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-12H/b18-12+
InChIKeyKWECTSUSEYMVLE-LDADJPATSA-N
MW276.30 g/mol
LogP4.50
Rot. Bonds3

About N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine

N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine (PubChem CID 826826) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
PubChem CID826826
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC NameN-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-12H/b18-12+
InChIKeyKWECTSUSEYMVLE-LDADJPATSA-N
XLogP4.50
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.50
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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Related Compounds

1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
CID 23967284
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
CID 102053185
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-(1-naphthalen-2-ylpyrrol-2-yl)-N-(4-nitrophenyl)methanimine
CID 4676045
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine (CID 826826) is N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine?
The InChIKey is KWECTSUSEYMVLE-LDADJPATSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-12H/b18-12+.
What are the key properties of N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine?
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine has a molecular weight of 276.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 826826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).