Chemical ID: 7965821

Cc1ccc(cc1)n2cc(c(n2)c3ccccc3)c4cc(nc(c4)c5ccc(cc5)OC)c6ccc(cc6)OC
Chemical ID:
7965821
Name [?]:
2,6-bis(4-methoxyphenyl)-4-[3-phenyl-1-(p-tolyl)pyrazol-4-yl]-pyridine
SMILES [?]:
Cc1ccc(cc1)n2cc(c(n2)c3ccccc3)c4cc(nc(c4)c5ccc(cc5)OC)c6ccc(cc6)OC
InChi [?]:
InChI=1/C35H29N3O2/c1-24-9-15-29(16-10-24)38-23-32(35(37-38)27-7-5-4-6-8-27)28-21-33(25-11-17-30(39-2)18-12-25)36-34(22-28)26-13-19-31(40-3)20-14-26/h4-23H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,40,16,15,17,14,18,3,7,26,30,34,38,4,6,27,29,35,37,24,20,9,2,25,33,13,19,5,28,36,10,23,21,11,22,12,8,31,39/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18,19,20)(21,22)(25,26)(30,31)(33,34)(39,40)/rA:40nCCCCCCCNCCCNCCCCCCCCCNCCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s10;s19;d20;s21;d22;d19s23;s23;s25;d26;s27;d28;d25s29;s28;s31;s21;s33;d34;s35;d36;d33s37;s36;s39;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6874,-1.2002;.0244,-2.0684,-1.2111;.0396,-2.7706,-.0132;.0359,-2.0815,1.1924;.0229,-.7004,1.1966;.0581,-4.1714,-.0209;.0686,-4.9672,1.0704;.0858,-6.2615,.6425;.0856,-6.2412,-.776;.0628,-4.9838,-1.161;.1017,-7.4268,-1.6663;.8041,-8.5718,-1.2939;.8156,-9.6723,-2.1265;.1323,-9.6405,-3.3288;-.5661,-8.5068,-3.7037;-.5902,-7.4027,-2.8761;.1017,-7.4693,1.5023;-.7996,-8.5144,1.285;-.7538,-9.6315,2.1128;.1313,-9.7108,3.098;1.0025,-8.7386,3.3346;1.0223,-7.5927,2.546;1.9706,-8.8775,4.4494;2.8865,-7.8593,4.7101;3.7854,-7.9914,5.7472;3.779,-9.1372,6.5316;2.8683,-10.1532,6.2741;1.9629,-10.0242,5.2423;4.6658,-9.2645,7.5528;4.414,-10.5319,8.1629;-1.706,-10.7467,1.8918;-2.6366,-10.6757,.8562;-3.5206,-11.7141,.6532;-3.4847,-12.8299,1.479;-2.5592,-12.9032,2.5117;-1.6686,-11.8707,2.7157;-4.3569,-13.8514,1.2766;-4.0755,-14.838,2.2713;

Chemical Details

Atom Count
Formula:C11H15N3O2
All Atoms:69
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:14.3958
Area:797.198
Solvation:-5.53421
Coulombic:-28.9294
Bond Count [?]
All:74
Single:57
Double:17
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:523.624
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:8.95
LogP (Chemaxon):8.59

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