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Chemical ID: 7216932
Chemical ID:
7216932
Name [?]:
9-(3-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILES [?]:
CC1(CC2=C(C(C3=C(N2c4ccc(cc4)OC)CC(CC3=O)(C)C)c5cccc(c5)OC)C(=O)C1)C
InChi [?]:
InChI=1/C31H35NO4/c1-30(2)15-23-28(25(33)17-30)27(19-8-7-9-22(14-19)36-6)29-24(16-31(3,4)18-26(29)34)32(23)20-10-12-21(35-5)13-11-20/h7-14,27H,15-18H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,36,23,24,17,32,27,26,28,11,15,12,14,30,3,18,35,20,25,10,13,29,4,8,33,21,6,5,7,2,19,9,34,22,16,31/E:(1,2,3,4)(10,11)(12,13)(15,16)(17,18)(23,24)(25,26)(28,29)(30,31)(33,34)/rA:36nCCCCCCCCNCCCCCCOCCCCCOCCCCCCCCOCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s4s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s8;s18;s19;s7s20;d21;s19;s19;s6;s25;d26;s27;d28;d25s29;s29;s31;s5;d33;s2s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35NO4 |
All Atoms: | 71 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4066 |
Area: | 671.021 |
Solvation: | -6.36896 |
Coulombic: | -35.2501 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 485.614 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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