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

C29H39NO2 — CID 22333792

IUPAC3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C29H39NO2/c1-7-8-9-14-30-21-15-28(3,4)17-23(31)26(21)25(20-12-10-19(2)11-13-20)27-22(30)16-29(5,6)18-24(27)32/h10-13,25H,7-9,14-18H2,1-6H3
InChIKeyXYUPYRRVVTWALL-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.87
Rot. Bonds5

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

3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 22333792) has the molecular formula C29H39NO2 and a molecular weight of 433.64 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID22333792
Molecular FormulaC29H39NO2
Molecular Weight433.64 g/mol
Exact Mass433.30
IUPAC Name3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C29H39NO2/c1-7-8-9-14-30-21-15-28(3,4)17-23(31)26(21)25(20-12-10-19(2)11-13-20)27-22(30)16-29(5,6)18-24(27)32/h10-13,25H,7-9,14-18H2,1-6H3
InChIKeyXYUPYRRVVTWALL-UHFFFAOYSA-N
XLogP6.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 22333792) is 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is XYUPYRRVVTWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO2/c1-7-8-9-14-30-21-15-28(3,4)17-23(31)26(21)25(20-12-10-19(2)11-13-20)27-22(30)16-29(5,6)18-24(27)32/h10-13,25H,7-9,14-18H2,1-6H3.
What are the key properties of 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 433.64 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 22333792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).