[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone

C27H18FNO — CID 172698178

IUPAC[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(-c2c3ccccc3nc3c(F)cccc23)cc1
InChIInChI=1S/C27H18FNO/c1-17-7-2-3-8-20(17)27(30)19-15-13-18(14-16-19)25-21-9-4-5-12-24(21)29-26-22(25)10-6-11-23(26)28/h2-16H,1H3
InChIKeyCPJGICOZWWELQW-UHFFFAOYSA-N
MW391.45 g/mol
LogP6.73
Rot. Bonds3

About [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone

[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone (PubChem CID 172698178) has the molecular formula C27H18FNO and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone
PubChem CID172698178
Molecular FormulaC27H18FNO
Molecular Weight391.45 g/mol
Exact Mass391.14
IUPAC Name[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(-c2c3ccccc3nc3c(F)cccc23)cc1
InChIInChI=1S/C27H18FNO/c1-17-7-2-3-8-20(17)27(30)19-15-13-18(14-16-19)25-21-9-4-5-12-24(21)29-26-22(25)10-6-11-23(26)28/h2-16H,1H3
InChIKeyCPJGICOZWWELQW-UHFFFAOYSA-N
XLogP6.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 56.73
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

(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
9-phenylacridin-4-ol
CID 59256664
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
CID 175227230
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone (CID 172698178) is [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(-c2c3ccccc3nc3c(F)cccc23)cc1.
What is the InChIKey of [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone?
The InChIKey is CPJGICOZWWELQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FNO/c1-17-7-2-3-8-20(17)27(30)19-15-13-18(14-16-19)25-21-9-4-5-12-24(21)29-26-22(25)10-6-11-23(26)28/h2-16H,1H3.
What are the key properties of [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone?
[4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone has a molecular weight of 391.45 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoroacridin-9-yl)phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 172698178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).