10-(4-chlorophenyl)iminoanthracen-9-one

C20H12ClNO — CID 174455431

IUPAC10-(4-chlorophenyl)iminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H12ClNO/c21-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)20(23)18-8-4-2-6-16(18)19/h1-12H
InChIKeyBTJPAJVGOJLHLB-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.05
Rot. Bonds1

About 10-(4-chlorophenyl)iminoanthracen-9-one

10-(4-chlorophenyl)iminoanthracen-9-one (PubChem CID 174455431) has the molecular formula C20H12ClNO and a molecular weight of 317.78 g/mol. Its IUPAC name is 10-(4-chlorophenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name10-(4-chlorophenyl)iminoanthracen-9-one
PubChem CID174455431
Molecular FormulaC20H12ClNO
Molecular Weight317.78 g/mol
Exact Mass317.06
IUPAC Name10-(4-chlorophenyl)iminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H12ClNO/c21-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)20(23)18-8-4-2-6-16(18)19/h1-12H
InChIKeyBTJPAJVGOJLHLB-UHFFFAOYSA-N
XLogP5.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)iminoanthracen-9-one?
The IUPAC name of 10-(4-chlorophenyl)iminoanthracen-9-one (CID 174455431) is 10-(4-chlorophenyl)iminoanthracen-9-one.
What is the SMILES notation for 10-(4-chlorophenyl)iminoanthracen-9-one?
The canonical SMILES for 10-(4-chlorophenyl)iminoanthracen-9-one is O=C1c2ccccc2C(=Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 10-(4-chlorophenyl)iminoanthracen-9-one?
The InChIKey is BTJPAJVGOJLHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO/c21-13-9-11-14(12-10-13)22-19-15-5-1-3-7-17(15)20(23)18-8-4-2-6-16(18)19/h1-12H.
What are the key properties of 10-(4-chlorophenyl)iminoanthracen-9-one?
10-(4-chlorophenyl)iminoanthracen-9-one has a molecular weight of 317.78 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)iminoanthracen-9-one is sourced from PubChem (CID 174455431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).