9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C26H33NO4 — CID 1341111

IUPAC9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H33NO4/c1-25(2)11-16-23(18(28)13-25)22(15-8-9-20(30-6)21(10-15)31-7)24-17(27(16)5)12-26(3,4)14-19(24)29/h8-10,22H,11-14H2,1-7H3
InChIKeyXFNXJYJBMRBTFP-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.02
Rot. Bonds3

About 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 1341111) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID1341111
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H33NO4/c1-25(2)11-16-23(18(28)13-25)22(15-8-9-20(30-6)21(10-15)31-7)24-17(27(16)5)12-26(3,4)14-19(24)29/h8-10,22H,11-14H2,1-7H3
InChIKeyXFNXJYJBMRBTFP-UHFFFAOYSA-N
XLogP5.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 1341111) is 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is XFNXJYJBMRBTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-25(2)11-16-23(18(28)13-25)22(15-8-9-20(30-6)21(10-15)31-7)24-17(27(16)5)12-26(3,4)14-19(24)29/h8-10,22H,11-14H2,1-7H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 423.55 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1341111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).