Chemical ID: 4848118

Cc1ccc(cc1)N2C3=C(C(C4=C2CC(CC4=O)(C)C)c5ccc(c(c5)OC)O)C(=O)CC(C3)(C)C
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

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