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Chemical ID: 6167991
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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