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

C29H28Cl2FNO2 — CID 22333796

IUPAC10-(3,4-dichlorophenyl)-9-(4-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)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C29H28Cl2FNO2/c1-28(2)12-21-26(23(34)14-28)25(16-5-7-17(32)8-6-16)27-22(13-29(3,4)15-24(27)35)33(21)18-9-10-19(30)20(31)11-18/h5-11,25H,12-15H2,1-4H3
InChIKeyPCLUCGZOGNCMQO-UHFFFAOYSA-N
MW512.45 g/mol
LogP8.02
Rot. Bonds2

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

10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 22333796) has the molecular formula C29H28Cl2FNO2 and a molecular weight of 512.45 g/mol. Its IUPAC name is 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID22333796
Molecular FormulaC29H28Cl2FNO2
Molecular Weight512.45 g/mol
Exact Mass511.15
IUPAC Name10-(3,4-dichlorophenyl)-9-(4-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)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C29H28Cl2FNO2/c1-28(2)12-21-26(23(34)14-28)25(16-5-7-17(32)8-6-16)27-22(13-29(3,4)15-24(27)35)33(21)18-9-10-19(30)20(31)11-18/h5-11,25H,12-15H2,1-4H3
InChIKeyPCLUCGZOGNCMQO-UHFFFAOYSA-N
XLogP8.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.45
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 22333796) is 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(3,4-dichlorophenyl)-9-(4-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)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1.
What is the InChIKey of 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is PCLUCGZOGNCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2FNO2/c1-28(2)12-21-26(23(34)14-28)25(16-5-7-17(32)8-6-16)27-22(13-29(3,4)15-24(27)35)33(21)18-9-10-19(30)20(31)11-18/h5-11,25H,12-15H2,1-4H3.
What are the key properties of 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 512.45 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dichlorophenyl)-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 22333796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).