1-(3-acridin-9-ylphenyl)ethanone

C21H15NO — CID 18966030

IUPAC1-(3-acridin-9-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H15NO/c1-14(23)15-7-6-8-16(13-15)21-17-9-2-4-11-19(17)22-20-12-5-3-10-18(20)21/h2-13H,1H3
InChIKeyYWUGWLNBQIOMHO-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.26
Rot. Bonds2

About 1-(3-acridin-9-ylphenyl)ethanone

1-(3-acridin-9-ylphenyl)ethanone (PubChem CID 18966030) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-acridin-9-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acridin-9-ylphenyl)ethanone
PubChem CID18966030
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name1-(3-acridin-9-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H15NO/c1-14(23)15-7-6-8-16(13-15)21-17-9-2-4-11-19(17)22-20-12-5-3-10-18(20)21/h2-13H,1H3
InChIKeyYWUGWLNBQIOMHO-UHFFFAOYSA-N
XLogP5.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.26
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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Related Compounds

1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
CID 81432897
1-(11-phenylthiochromeno[2,3-b]indol-3-yl)ethanone
CID 11035598
3-acridin-9-ylaniline
CID 87131444
1-azulen-2-ylethanone
CID 15255141
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone
CID 22023975
1-[3-(2-methylsulfanyl-1-benzofuran-3-yl)phenyl]ethanone
CID 46915005
ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
2-(3-acetylphenyl)benzoic acid
CID 2756265
9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 158189898
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893

Frequently Asked Questions

What is the IUPAC name of 1-(3-acridin-9-ylphenyl)ethanone?
The IUPAC name of 1-(3-acridin-9-ylphenyl)ethanone (CID 18966030) is 1-(3-acridin-9-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-acridin-9-ylphenyl)ethanone?
The canonical SMILES for 1-(3-acridin-9-ylphenyl)ethanone is CC(=O)c1cccc(-c2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 1-(3-acridin-9-ylphenyl)ethanone?
The InChIKey is YWUGWLNBQIOMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-14(23)15-7-6-8-16(13-15)21-17-9-2-4-11-19(17)22-20-12-5-3-10-18(20)21/h2-13H,1H3.
What are the key properties of 1-(3-acridin-9-ylphenyl)ethanone?
1-(3-acridin-9-ylphenyl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acridin-9-ylphenyl)ethanone is sourced from PubChem (CID 18966030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).