3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

C23H27NO2 — CID 623300

IUPAC3,3,6,6-tetramethyl-9-phenyl-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)C2c1ccccc1
InChIInChI=1S/C23H27NO2/c1-22(2)10-15-20(17(25)12-22)19(14-8-6-5-7-9-14)21-16(24-15)11-23(3,4)13-18(21)26/h5-9,19,24H,10-13H2,1-4H3
InChIKeyKFTOHVZIRTYJBU-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.66
Rot. Bonds1

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

3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 623300) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID623300
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3,3,6,6-tetramethyl-9-phenyl-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)C2c1ccccc1
InChIInChI=1S/C23H27NO2/c1-22(2)10-15-20(17(25)12-22)19(14-8-6-5-7-9-14)21-16(24-15)11-23(3,4)13-18(21)26/h5-9,19,24H,10-13H2,1-4H3
InChIKeyKFTOHVZIRTYJBU-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 623300) is 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-phenyl-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)C2c1ccccc1.
What is the InChIKey of 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is KFTOHVZIRTYJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-22(2)10-15-20(17(25)12-22)19(14-8-6-5-7-9-14)21-16(24-15)11-23(3,4)13-18(21)26/h5-9,19,24H,10-13H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 349.47 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-phenyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 623300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).