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

C23H26ClNO2 — CID 623286

IUPAC9-(4-chlorophenyl)-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)cc1
InChIInChI=1S/C23H26ClNO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3
InChIKeyJGLMCEREXQUKPR-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.31
Rot. Bonds1

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

9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 623286) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID623286
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name9-(4-chlorophenyl)-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)cc1
InChIInChI=1S/C23H26ClNO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3
InChIKeyJGLMCEREXQUKPR-UHFFFAOYSA-N
XLogP5.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 623286) is 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(4-chlorophenyl)-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)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is JGLMCEREXQUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3.
What are the key properties of 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 383.92 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 623286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).