2-acridin-9-yl-1-phenylethanone

C21H15NO — CID 2843881

IUPAC2-acridin-9-yl-1-phenylethanone
SMILESO=C(Cc1c2ccccc2nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15NO/c23-21(15-8-2-1-3-9-15)14-18-16-10-4-6-12-19(16)22-20-13-7-5-11-17(18)20/h1-13H,14H2
InChIKeyWPMASNKNIMSMKB-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.81
Rot. Bonds3

About 2-acridin-9-yl-1-phenylethanone

2-acridin-9-yl-1-phenylethanone (PubChem CID 2843881) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-acridin-9-yl-1-phenylethanone.

Molecular Properties

Compound Name2-acridin-9-yl-1-phenylethanone
PubChem CID2843881
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name2-acridin-9-yl-1-phenylethanone
SMILESO=C(Cc1c2ccccc2nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15NO/c23-21(15-8-2-1-3-9-15)14-18-16-10-4-6-12-19(16)22-20-13-7-5-11-17(18)20/h1-13H,14H2
InChIKeyWPMASNKNIMSMKB-UHFFFAOYSA-N
XLogP4.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acridin-9-yl-1-phenylethanone?
The IUPAC name of 2-acridin-9-yl-1-phenylethanone (CID 2843881) is 2-acridin-9-yl-1-phenylethanone.
What is the SMILES notation for 2-acridin-9-yl-1-phenylethanone?
The canonical SMILES for 2-acridin-9-yl-1-phenylethanone is O=C(Cc1c2ccccc2nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-acridin-9-yl-1-phenylethanone?
The InChIKey is WPMASNKNIMSMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c23-21(15-8-2-1-3-9-15)14-18-16-10-4-6-12-19(16)22-20-13-7-5-11-17(18)20/h1-13H,14H2.
What are the key properties of 2-acridin-9-yl-1-phenylethanone?
2-acridin-9-yl-1-phenylethanone has a molecular weight of 297.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-9-yl-1-phenylethanone is sourced from PubChem (CID 2843881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).