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

C23H25Cl2NO2 — CID 982973

IUPAC9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H25Cl2NO2/c1-22(2)8-15-20(17(27)10-22)19(13-6-5-12(24)7-14(13)25)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19,26H,8-11H2,1-4H3
InChIKeyHHNMKNNDBPOYNZ-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.97
Rot. Bonds1

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

9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 982973) has the molecular formula C23H25Cl2NO2 and a molecular weight of 418.36 g/mol. Its IUPAC name is 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID982973
Molecular FormulaC23H25Cl2NO2
Molecular Weight418.36 g/mol
Exact Mass417.13
IUPAC Name9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H25Cl2NO2/c1-22(2)8-15-20(17(27)10-22)19(13-6-5-12(24)7-14(13)25)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19,26H,8-11H2,1-4H3
InChIKeyHHNMKNNDBPOYNZ-UHFFFAOYSA-N
XLogP5.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 982973) is 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl.
What is the InChIKey of 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is HHNMKNNDBPOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO2/c1-22(2)8-15-20(17(27)10-22)19(13-6-5-12(24)7-14(13)25)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19,26H,8-11H2,1-4H3.
What are the key properties of 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 418.36 g/mol, XLogP of 5.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 982973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).