1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine

C22H16N2O2 — CID 932242

IUPAC1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H16N2O2/c1-15-10-11-18(24(25)26)13-22(15)23-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-14H,1H3/b23-14+
InChIKeyFKICJRHGUXLTBD-OEAKJJBVSA-N
MW340.38 g/mol
LogP5.96
Rot. Bonds3

About 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine

1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine (PubChem CID 932242) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
PubChem CID932242
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H16N2O2/c1-15-10-11-18(24(25)26)13-22(15)23-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-14H,1H3/b23-14+
InChIKeyFKICJRHGUXLTBD-OEAKJJBVSA-N
XLogP5.96
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.96
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine (CID 932242) is 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine is Cc1ccc([N+](=O)[O-])cc1/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine?
The InChIKey is FKICJRHGUXLTBD-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-15-10-11-18(24(25)26)13-22(15)23-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-14H,1H3/b23-14+.
What are the key properties of 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine?
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine has a molecular weight of 340.38 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine is sourced from PubChem (CID 932242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).