Chemical ID: 6167991

CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)c4cccc(c4)OCc5ccc(cc5)F)C(=O)C1)C
Chemical ID:
6167991
Name [?]:
9-[3-[(4-fluorophenyl)methoxy]phenyl]-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILES [?]:
CC1(CC2=C(C(C3=C(N2C)CC(CC3=O)(C)C)c4cccc(c4)OCc5ccc(cc5)F)C(=O)C1)C
InChi [?]:
InChI=1/C31H34FNO3/c1-30(2)14-23-28(25(34)16-30)27(29-24(33(23)5)15-31(3,4)17-26(29)35)20-7-6-8-22(13-20)36-18-19-9-11-21(32)12-10-19/h6-13,27H,14-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,16,17,10,20,19,21,27,31,28,30,23,3,11,35,13,25,26,18,29,22,4,8,33,14,6,5,7,2,12,32,9,34,15,24/E:(1,2,3,4)(9,10)(11,12)(14,15)(16,17)(23,24)(25,26)(28,29)(30,31)(34,35)/rA:36nCCCCCCCCNCCCCCOCCCCCCCCOCCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s4s8;s9;s8;s11;s12;s7s13;d14;s12;s12;s6;s18;d19;s20;d21;d18s22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s5;d33;s2s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34FNO3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.1523
Area:684.61
Solvation:-5.96297
Coulombic:-33.1011
Bond Count [?]
All:40
Single:30
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:487.605
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):5.26

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