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

C29H30FNO2 — CID 134692319

IUPAC9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C29H30FNO2/c1-28(2)14-21-26(23(32)16-28)25(18-10-12-19(30)13-11-18)27-22(15-29(3,4)17-24(27)33)31(21)20-8-6-5-7-9-20/h5-13,25H,14-17H2,1-4H3
InChIKeyHONYVBSORWYPCR-UHFFFAOYSA-N
MW443.56 g/mol
LogP6.72
Rot. Bonds2

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

9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 134692319) has the molecular formula C29H30FNO2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID134692319
Molecular FormulaC29H30FNO2
Molecular Weight443.56 g/mol
Exact Mass443.23
IUPAC Name9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
InChIInChI=1S/C29H30FNO2/c1-28(2)14-21-26(23(32)16-28)25(18-10-12-19(30)13-11-18)27-22(15-29(3,4)17-24(27)33)31(21)20-8-6-5-7-9-20/h5-13,25H,14-17H2,1-4H3
InChIKeyHONYVBSORWYPCR-UHFFFAOYSA-N
XLogP6.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 134692319) is 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is HONYVBSORWYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FNO2/c1-28(2)14-21-26(23(32)16-28)25(18-10-12-19(30)13-11-18)27-22(15-29(3,4)17-24(27)33)31(21)20-8-6-5-7-9-20/h5-13,25H,14-17H2,1-4H3.
What are the key properties of 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 443.56 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 134692319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).