1-anthracen-9-yl-N-(4-methylphenyl)methanimine

C22H17N — CID 4231994

IUPAC1-anthracen-9-yl-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H17N/c1-16-10-12-19(13-11-16)23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15H,1H3/b23-15+
InChIKeyFYJRWAJWJSTKBE-HZHRSRAPSA-N
MW295.38 g/mol
LogP6.05
Rot. Bonds2

About 1-anthracen-9-yl-N-(4-methylphenyl)methanimine

1-anthracen-9-yl-N-(4-methylphenyl)methanimine (PubChem CID 4231994) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(4-methylphenyl)methanimine
PubChem CID4231994
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name1-anthracen-9-yl-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H17N/c1-16-10-12-19(13-11-16)23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15H,1H3/b23-15+
InChIKeyFYJRWAJWJSTKBE-HZHRSRAPSA-N
XLogP6.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(4-methylphenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(4-methylphenyl)methanimine (CID 4231994) is 1-anthracen-9-yl-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 1-anthracen-9-yl-N-(4-methylphenyl)methanimine?
The InChIKey is FYJRWAJWJSTKBE-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N/c1-16-10-12-19(13-11-16)23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15H,1H3/b23-15+.
What are the key properties of 1-anthracen-9-yl-N-(4-methylphenyl)methanimine?
1-anthracen-9-yl-N-(4-methylphenyl)methanimine has a molecular weight of 295.38 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 4231994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).