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Chemical ID: 4848118
Chemical ID:
4848118
Name [?]:
9-(4-hydroxy-3-methoxy-phenyl)-3,3,6,6-tetramethyl-10-(p-tolyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILES [?]:
Cc1ccc(cc1)N2C3=C(C(C4=C2CC(CC4=O)(C)C)c5ccc(c(c5)OC)O)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C31H35NO4/c1-18-7-10-20(11-8-18)32-21-14-30(2,3)16-24(34)28(21)27(19-9-12-23(33)26(13-19)36-6)29-22(32)15-31(4,5)17-25(29)35/h7-13,27,33H,14-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,19,20,35,36,28,3,7,22,4,6,23,26,14,34,16,32,2,21,5,13,9,24,17,30,25,11,12,10,15,33,8,29,18,31,27/E:(2,3,4,5)(7,8)(10,11)(14,15)(16,17)(21,22)(24,25)(28,29)(30,31)(34,35)/rA:36nCCCCCCCNCCCCCCCCCOCCCCCCCCOCOCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;s8d12;s13;s14;s15;s12s16;d17;s15;s15;s11;s21;d22;s23;d24;d21s25;s25;s27;s24;s10;d30;s30;s32;s9s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35NO4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0042 |
Area: | 669.651 |
Solvation: | -5.73706 |
Coulombic: | -45.0374 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 485.614 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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