10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C29H33NO2S — CID 6621033

IUPAC10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccs3)C3=C2CC(C)(C)CC3=O)cc1C
InChIInChI=1S/C29H33NO2S/c1-17-9-10-19(12-18(17)2)30-20-13-28(3,4)15-22(31)25(20)27(24-8-7-11-33-24)26-21(30)14-29(5,6)16-23(26)32/h7-12,27H,13-16H2,1-6H3
InChIKeyAZOIESXSBNNFHE-UHFFFAOYSA-N
MW459.66 g/mol
LogP7.26
Rot. Bonds2

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

10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 6621033) has the molecular formula C29H33NO2S and a molecular weight of 459.66 g/mol. Its IUPAC name is 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID6621033
Molecular FormulaC29H33NO2S
Molecular Weight459.66 g/mol
Exact Mass459.22
IUPAC Name10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccs3)C3=C2CC(C)(C)CC3=O)cc1C
InChIInChI=1S/C29H33NO2S/c1-17-9-10-19(12-18(17)2)30-20-13-28(3,4)15-22(31)25(20)27(24-8-7-11-33-24)26-21(30)14-29(5,6)16-23(26)32/h7-12,27H,13-16H2,1-6H3
InChIKeyAZOIESXSBNNFHE-UHFFFAOYSA-N
XLogP7.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 6621033) is 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccs3)C3=C2CC(C)(C)CC3=O)cc1C.
What is the InChIKey of 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is AZOIESXSBNNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2S/c1-17-9-10-19(12-18(17)2)30-20-13-28(3,4)15-22(31)25(20)27(24-8-7-11-33-24)26-21(30)14-29(5,6)16-23(26)32/h7-12,27H,13-16H2,1-6H3.
What are the key properties of 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 459.66 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-thiophen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 6621033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).