10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C29H29ClFNO2 — CID 22333809

IUPAC10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1
InChIInChI=1S/C29H29ClFNO2/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(31)12-17)27-22(14-29(3,4)16-24(27)34)32(21)20-10-8-18(30)9-11-20/h5-12,25H,13-16H2,1-4H3
InChIKeyFHPUMCJQFUVNEU-UHFFFAOYSA-N
MW478.01 g/mol
LogP7.37
Rot. Bonds2

About 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 22333809) has the molecular formula C29H29ClFNO2 and a molecular weight of 478.01 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID22333809
Molecular FormulaC29H29ClFNO2
Molecular Weight478.01 g/mol
Exact Mass477.19
IUPAC Name10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1
InChIInChI=1S/C29H29ClFNO2/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(31)12-17)27-22(14-29(3,4)16-24(27)34)32(21)20-10-8-18(30)9-11-20/h5-12,25H,13-16H2,1-4H3
InChIKeyFHPUMCJQFUVNEU-UHFFFAOYSA-N
XLogP7.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.01
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-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-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 22333809) is 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1.
What is the InChIKey of 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is FHPUMCJQFUVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFNO2/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(31)12-17)27-22(14-29(3,4)16-24(27)34)32(21)20-10-8-18(30)9-11-20/h5-12,25H,13-16H2,1-4H3.
What are the key properties of 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 478.01 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 22333809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).