Chemical ID: 4839741

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)c4ccc(cc4)C#N)C(=O)C1)C
Chemical ID:
4839741
Name [?]:
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)benzonitrile
SMILES [?]:
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)c4ccc(cc4)C#N)C(=O)C1)C
InChi [?]:
InChI=1/C24H26N2O2/c1-23(2)9-16-21(18(27)11-23)20(15-7-5-14(13-25)6-8-15)22-17(26-16)10-24(3,4)12-19(22)28/h5-8,20,26H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,15,16,19,21,18,22,3,10,27,12,23,20,17,4,8,25,13,6,5,7,2,11,24,9,26,14/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(18,19)(21,22)(23,24)(27,28)/rA:28nCCCCCCCCNCCCCOCCCCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s4s8;s8;s10;s11;s7s12;d13;s11;s11;s6;s17;d18;s19;d20;d17s21;s20;t23;s5;d25;s2s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4502
Area:554.803
Solvation:-3.41992
Coulombic:-29.9429
Bond Count [?]
All:31
Single:23
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:374.476
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):3.06

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