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

C24H28FNO2 — CID 134947037

IUPAC9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1F
InChIInChI=1S/C24H28FNO2/c1-13-6-7-14(8-15(13)25)20-21-16(9-23(2,3)11-18(21)27)26-17-10-24(4,5)12-19(28)22(17)20/h6-8,20,26H,9-12H2,1-5H3
InChIKeyHYDQEVBABWIOSV-UHFFFAOYSA-N
MW381.49 g/mol
LogP5.11
Rot. Bonds1

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

9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 134947037) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID134947037
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Name9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1F
InChIInChI=1S/C24H28FNO2/c1-13-6-7-14(8-15(13)25)20-21-16(9-23(2,3)11-18(21)27)26-17-10-24(4,5)12-19(28)22(17)20/h6-8,20,26H,9-12H2,1-5H3
InChIKeyHYDQEVBABWIOSV-UHFFFAOYSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 134947037) is 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is Cc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1F.
What is the InChIKey of 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is HYDQEVBABWIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c1-13-6-7-14(8-15(13)25)20-21-16(9-23(2,3)11-18(21)27)26-17-10-24(4,5)12-19(28)22(17)20/h6-8,20,26H,9-12H2,1-5H3.
What are the key properties of 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 381.49 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-4-methylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 134947037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).