9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione

C23H26FNO2 — CID 102459228

IUPAC9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(CC(=O)C(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c1-22(2)10-17-21(18(26)12-22)20(13-5-7-14(24)8-6-13)15-9-19(27)23(3,4)11-16(15)25-17/h5-8,20,25H,9-12H2,1-4H3
InChIKeySSQKTIRXVDIQPW-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.80
Rot. Bonds1

About 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione

9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione (PubChem CID 102459228) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione
PubChem CID102459228
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(CC(=O)C(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c1-22(2)10-17-21(18(26)12-22)20(13-5-7-14(24)8-6-13)15-9-19(27)23(3,4)11-16(15)25-17/h5-8,20,25H,9-12H2,1-4H3
InChIKeySSQKTIRXVDIQPW-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione with MolForge

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Related Compounds

(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117846
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
CID 3443810
propan-2-yl 4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3145942
4-(4-fluorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 3464795
methyl 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 22481035
9-(4-butoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 3843763
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641
4-(4-fluorophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142899
N-(2-fluorophenyl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2901043

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione?
The IUPAC name of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione (CID 102459228) is 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione.
What is the SMILES notation for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione?
The canonical SMILES for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(CC(=O)C(C)(C)C1)C2c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione?
The InChIKey is SSQKTIRXVDIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-22(2)10-17-21(18(26)12-22)20(13-5-7-14(24)8-6-13)15-9-19(27)23(3,4)11-16(15)25-17/h5-8,20,25H,9-12H2,1-4H3.
What are the key properties of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione?
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione has a molecular weight of 367.46 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione is sourced from PubChem (CID 102459228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).