Chemical ID: 4344261

CC(C)c1ccc(cc1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
Chemical ID:
4344261
Name [?]:
9-(4-isopropylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILES [?]:
CC(C)c1ccc(cc1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
InChi [?]:
InChI=1/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
InChi Info:
AuxInfo=1/0/N:1,3,18,19,28,29,5,9,6,8,13,27,15,25,2,4,7,12,21,16,23,10,11,22,14,26,20,17,24/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(18,19)(20,21)(23,24)(25,26)(28,29)/rA:29nCCCCCCCCCCCCCCCCOCCNCCCOCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;s14;s11s15;d16;s14;s14;s12;s20;s10d21;s22;d23;s23;s25;s21s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33NO2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6836
Area:564.857
Solvation:-3.43779
Coulombic:-27.0431
Bond Count [?]
All:32
Single:25
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:391.546
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.54
LogP (Chemaxon):4.43

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue