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

C26H33NO2 — CID 983416

IUPAC3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H33NO2/c1-15(2)16-7-9-17(10-8-16)22-23-18(11-25(3,4)13-20(23)28)27-19-12-26(5,6)14-21(29)24(19)22/h7-10,15,22,27H,11-14H2,1-6H3
InChIKeyHRRRUWAOYPPPDF-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.78
Rot. Bonds2

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

3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 983416) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID983416
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H33NO2/c1-15(2)16-7-9-17(10-8-16)22-23-18(11-25(3,4)13-20(23)28)27-19-12-26(5,6)14-21(29)24(19)22/h7-10,15,22,27H,11-14H2,1-6H3
InChIKeyHRRRUWAOYPPPDF-UHFFFAOYSA-N
XLogP5.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.78
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-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 983416) is 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione is CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is HRRRUWAOYPPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-15(2)16-7-9-17(10-8-16)22-23-18(11-25(3,4)13-20(23)28)27-19-12-26(5,6)14-21(29)24(19)22/h7-10,15,22,27H,11-14H2,1-6H3.
What are the key properties of 3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 391.56 g/mol, XLogP of 5.78, 2 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-(4-propan-2-ylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 983416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).