10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C26H24FNO2 — CID 15998024

IUPAC10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CCCC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H24FNO2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)29)28(19-14-12-18(27)13-15-19)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3
InChIKeyNJUHFJNHINJIBT-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.75
Rot. Bonds2

About 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 15998024) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID15998024
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CCCC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H24FNO2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)29)28(19-14-12-18(27)13-15-19)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3
InChIKeyNJUHFJNHINJIBT-UHFFFAOYSA-N
XLogP5.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 15998024) is 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is Cc1ccc(C2C3=C(CCCC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is NJUHFJNHINJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)29)28(19-14-12-18(27)13-15-19)21-5-3-7-23(30)26(21)24/h8-15,24H,2-7H2,1H3.
What are the key properties of 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 401.48 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-9-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 15998024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).