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

C30H32FNO2 — CID 15996025

IUPAC10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H32FNO2/c1-18-6-8-19(9-7-18)26-27-22(14-29(2,3)16-24(27)33)32(21-12-10-20(31)11-13-21)23-15-30(4,5)17-25(34)28(23)26/h6-13,26H,14-17H2,1-5H3
InChIKeyUOMTYUNMUPZVNM-UHFFFAOYSA-N
MW457.59 g/mol
LogP7.02
Rot. Bonds2

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

10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 15996025) has the molecular formula C30H32FNO2 and a molecular weight of 457.59 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID15996025
Molecular FormulaC30H32FNO2
Molecular Weight457.59 g/mol
Exact Mass457.24
IUPAC Name10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H32FNO2/c1-18-6-8-19(9-7-18)26-27-22(14-29(2,3)16-24(27)33)32(21-12-10-20(31)11-13-21)23-15-30(4,5)17-25(34)28(23)26/h6-13,26H,14-17H2,1-5H3
InChIKeyUOMTYUNMUPZVNM-UHFFFAOYSA-N
XLogP7.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 15996025) is 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is UOMTYUNMUPZVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FNO2/c1-18-6-8-19(9-7-18)26-27-22(14-29(2,3)16-24(27)33)32(21-12-10-20(31)11-13-21)23-15-30(4,5)17-25(34)28(23)26/h6-13,26H,14-17H2,1-5H3.
What are the key properties of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 457.59 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 15996025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).