1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine

C28H23ClN2 — CID 3746391

IUPAC1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine
SMILESCCN1c2ccccc2C(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc21
InChIInChI=1S/C28H23ClN2/c1-2-31-26-9-5-3-7-24(26)28(25-8-4-6-10-27(25)31)21-13-17-23(18-14-21)30-19-20-11-15-22(29)16-12-20/h3-19,28H,2H2,1H3/b30-19+
InChIKeyXAVKKTKDOSPZNT-NDZAJKAJSA-N
MW422.96 g/mol
LogP7.74
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine

1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine (PubChem CID 3746391) has the molecular formula C28H23ClN2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine
PubChem CID3746391
Molecular FormulaC28H23ClN2
Molecular Weight422.96 g/mol
Exact Mass422.15
IUPAC Name1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine
SMILESCCN1c2ccccc2C(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc21
InChIInChI=1S/C28H23ClN2/c1-2-31-26-9-5-3-7-24(26)28(25-8-4-6-10-27(25)31)21-13-17-23(18-14-21)30-19-20-11-15-22(29)16-12-20/h3-19,28H,2H2,1H3/b30-19+
InChIKeyXAVKKTKDOSPZNT-NDZAJKAJSA-N
XLogP7.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine (CID 3746391) is 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine is CCN1c2ccccc2C(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine?
The InChIKey is XAVKKTKDOSPZNT-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H23ClN2/c1-2-31-26-9-5-3-7-24(26)28(25-8-4-6-10-27(25)31)21-13-17-23(18-14-21)30-19-20-11-15-22(29)16-12-20/h3-19,28H,2H2,1H3/b30-19+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine has a molecular weight of 422.96 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(10-ethyl-9H-acridin-9-yl)phenyl]methanimine is sourced from PubChem (CID 3746391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).