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Chemical ID: 4344261
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
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Experimental Annotations
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Descriptor Annotations
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