Chemical ID: 7965781

COc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)OC)c4cn(nc4c5ccccc5)c6ccc(cc6)F
Chemical ID:
7965781
Name [?]:
4-[1-(4-fluorophenyl)-3-phenyl-pyrazol-4-yl]-2,6-bis(4-methoxyphenyl)-pyridine
SMILES [?]:
COc1ccc(cc1)c2cc(cc(n2)c3ccc(cc3)OC)c4cn(nc4c5ccccc5)c6ccc(cc6)F
InChi [?]:
InChI=1/C34H26FN3O2/c1-39-29-16-8-23(9-17-29)32-20-26(21-33(36-32)24-10-18-30(40-2)19-11-24)31-22-38(28-14-12-27(35)13-15-28)37-34(31)25-6-4-3-5-7-25/h3-22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,31,30,32,29,33,5,7,16,20,36,38,35,39,4,8,17,19,10,12,24,6,15,28,11,37,34,3,18,23,9,13,27,40,14,26,25,2,21/E:(1,2)(4,5)(6,7)(8,9,10,11)(12,13)(14,15)(16,17,18,19)(20,21)(23,24)(29,30)(32,33)(39,40)/rA:40nCOCCCCCCCCCCCNCCCCCCOCCCNNCCCCCCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;d18;d15s19;s18;s21;s11;d23;s24;s25;s23d26;s27;s28;d29;s30;d31;d28s32;s25;s34;d35;s36;d37;d34s38;s37;/rC:-.0173,1.4248,.0099;.0021,-.0041,.002;.6683,-.3939,1.1199;1.1642,.5599,1.9988;1.8408,.1673,3.1342;2.0264,-1.1887,3.3996;1.5269,-2.1439,2.5154;.847,-1.7453,1.3841;2.7542,-1.6142,4.6197;2.9388,-2.9697,4.8722;3.6258,-3.3596,6.0245;4.1024,-2.3648,6.8819;3.8783,-1.0298,6.5612;3.226,-.6975,5.4546;4.3796,.0347,7.4638;5.0761,-.3034,8.6233;5.5409,.6885,9.4605;5.3156,2.0231,9.1502;4.6219,2.3629,7.9964;4.1604,1.3757,7.1517;5.7744,2.9981,9.9773;5.3917,4.2464,9.3964;3.8433,-4.794,6.3303;2.894,-5.7726,6.3256;3.497,-6.9348,6.6564;4.8565,-6.6816,6.8742;5.0783,-5.4004,6.6755;6.385,-4.7108,6.8001;6.7015,-3.6525,5.9499;7.9192,-3.0145,6.0704;8.8252,-3.4236,7.0324;8.5168,-4.4735,7.8786;7.2994,-5.1147,7.7716;2.8684,-8.1828,6.7638;1.5072,-8.2992,6.5151;.8896,-9.5298,6.6216;1.6268,-10.6472,6.9762;2.9844,-10.5332,7.2247;3.6069,-9.3054,7.1136;1.0207,-11.8501,7.0803;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:66
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:13.1984
Area:783.327
Solvation:-6.38478
Coulombic:-31.9226
Bond Count [?]
All:71
Single:54
Double:17
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:527.588
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:8.68
LogP (Chemaxon):8.26

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