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

C29H30BrNO2 — CID 101497921

IUPAC9-(4-bromophenyl)-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(Br)cc1
InChIInChI=1S/C29H30BrNO2/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
InChIKeyJZERZLMJIHVBSE-UHFFFAOYSA-N
MW504.47 g/mol
LogP7.34
Rot. Bonds2

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

9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 101497921) has the molecular formula C29H30BrNO2 and a molecular weight of 504.47 g/mol. Its IUPAC name is 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID101497921
Molecular FormulaC29H30BrNO2
Molecular Weight504.47 g/mol
Exact Mass503.15
IUPAC Name9-(4-bromophenyl)-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(Br)cc1
InChIInChI=1S/C29H30BrNO2/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
InChIKeyJZERZLMJIHVBSE-UHFFFAOYSA-N
XLogP7.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.47
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-bromophenyl)-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

2-Amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3943034
2-Amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4569410
4-(3-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3142525
4-(4-bromophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3144726
7,7-dimethyl-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3594347
2-Amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4592644
2-Amino-4-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4602624
3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 379937
4-(3-bromophenyl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2900220
4-(4-bromophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2901326
4-(3-bromophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3592759
9-(3-fluorophenyl)-10-(4-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 16002097

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 101497921) is 9-(4-bromophenyl)-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-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-bromophenyl)-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(Br)cc1.
What is the InChIKey of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is JZERZLMJIHVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrNO2/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-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 504.47 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-phenyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 101497921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).