Chemical ID: 7965767

Cc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)F)c4cn(nc4c5ccc(cc5)OC)c6ccccc6
Chemical ID:
7965767
Name [?]:
2-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-(p-tolyl)pyridine
SMILES [?]:
Cc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)F)c4cn(nc4c5ccc(cc5)OC)c6ccccc6
InChi [?]:
InChI=1/C34H26FN3O/c1-23-8-10-24(11-9-23)32-20-27(21-33(36-32)25-12-16-28(35)17-13-25)31-22-38(29-6-4-3-5-7-29)37-34(31)26-14-18-30(39-2)19-15-26/h3-22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,37,36,38,35,39,3,7,4,6,15,19,27,31,16,18,28,30,9,11,22,2,5,14,26,10,17,34,29,21,8,12,25,20,13,24,23,32/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:39nCCCCCCCCCCCCNCCCCCCFCCNNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;s14;d15;s16;d17;d14s18;s17;s10;d21;s22;s23;s21d24;s25;s26;d27;s28;d29;d26s30;s29;s32;s23;s34;d35;s36;d37;d34s38;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6865,-1.2011;.0244,-2.0665,-1.2147;.0401,-2.7723,-.0132;.0368,-2.0796,1.1959;.0229,-.6995,1.1976;.0597,-4.2558,-.0214;.0694,-4.9495,1.1842;.0875,-6.3463,1.165;.095,-6.9932,-.0734;.0844,-6.2298,-1.2361;.0623,-4.9046,-1.1781;.0928,-6.9055,-2.5566;.1053,-8.2973,-2.6293;.1126,-8.9216,-3.8595;.1079,-8.167,-5.0217;.0954,-6.7831,-4.954;.0823,-6.1505,-3.7281;.1159,-8.7825,-6.2244;.0988,-7.1232,2.4278;.9357,-6.9294,3.4865;.6224,-7.8404,4.433;-.4356,-8.6251,3.959;-.7633,-8.2004,2.7581;-1.8359,-8.7556,1.8982;-2.5746,-7.9115,1.0702;-3.5713,-8.4311,.2712;-3.8397,-9.7931,.2911;-3.1062,-10.6362,1.1148;-2.1041,-10.1238,1.9116;-4.8227,-10.3019,-.497;-4.8569,-11.7103,-.2572;1.2502,-7.9774,5.6778;2.2902,-7.1272,6.0298;2.9072,-7.2649,7.2578;2.4906,-8.2484,8.1361;1.4553,-9.0966,7.7885;.8302,-8.9601,6.5645;

Chemical Details

Atom Count
Formula:C11H17NO
All Atoms:65
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:14.0329
Area:766.332
Solvation:-5.12542
Coulombic:-25.5858
Bond Count [?]
All:70
Single:53
Double:17
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:511.588
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:9.2
LogP (Chemaxon):8.98

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Descriptor Annotations

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