1-anthracen-9-yl-N-(3-chlorophenyl)methanimine

C21H14ClN — CID 5218949

IUPAC1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H14ClN/c22-17-8-5-9-18(13-17)23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H/b23-14+
InChIKeyHOHQLVDJBCZMFQ-OEAKJJBVSA-N
MW315.80 g/mol
LogP6.40
Rot. Bonds2

About 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine

1-anthracen-9-yl-N-(3-chlorophenyl)methanimine (PubChem CID 5218949) has the molecular formula C21H14ClN and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
PubChem CID5218949
Molecular FormulaC21H14ClN
Molecular Weight315.80 g/mol
Exact Mass315.08
IUPAC Name1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C21H14ClN/c22-17-8-5-9-18(13-17)23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H/b23-14+
InChIKeyHOHQLVDJBCZMFQ-OEAKJJBVSA-N
XLogP6.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.80
LogP ≤ 56.40
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-(3-chlorophenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine (CID 5218949) is 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine is Clc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine?
The InChIKey is HOHQLVDJBCZMFQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H14ClN/c22-17-8-5-9-18(13-17)23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H/b23-14+.
What are the key properties of 1-anthracen-9-yl-N-(3-chlorophenyl)methanimine?
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine has a molecular weight of 315.80 g/mol, XLogP of 6.40, 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-(3-chlorophenyl)methanimine is sourced from PubChem (CID 5218949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).