Chemical ID: 7965834

Cc1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C)c4cc(nc(c4)c5ccc(cc5)F)c6ccccc6
Chemical ID:
7965834
Name [?]:
4-[1,3-bis(p-tolyl)pyrazol-4-yl]-2-(4-fluorophenyl)-6-phenyl-pyridine
SMILES [?]:
Cc1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C)c4cc(nc(c4)c5ccc(cc5)F)c6ccccc6
InChi [?]:
InChI=1/C34H26FN3/c1-23-8-12-27(13-9-23)34-31(22-38(37-34)30-18-10-24(2)11-19-30)28-20-32(25-6-4-3-5-7-25)36-33(21-28)26-14-16-29(35)17-15-26/h3-22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,36,35,37,34,38,3,7,15,17,4,6,27,31,28,30,14,18,21,25,10,2,16,33,26,5,20,29,13,9,22,24,8,32,23,12,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:38nCCCCCCCCCCNNCCCCCCCCCCNCCCCCCCCFCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s11;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;s24;s26;d27;s28;d29;d26s30;s29;s22;s33;d34;s35;d36;d33s37;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6865,-1.2012;.0244,-2.0663,-1.215;.0401,-2.7724,-.0132;.0368,-2.0794,1.1962;.0229,-.6994,1.1977;.0597,-4.255,-.0214;.7286,-5.0868,.913;.4957,-6.3801,.55;-.2797,-6.3655,-.5558;-.5446,-5.0328,-.8929;-.7443,-7.4929,-1.2455;-.4166,-8.766,-.7984;-.8762,-9.8755,-1.4805;-1.662,-9.7195,-2.6077;-1.99,-8.453,-3.0555;-1.5383,-7.3396,-2.3745;-2.1614,-10.9322,-3.3499;1.5337,-4.6327,2.0724;2.5274,-3.6624,1.9178;3.2613,-3.2619,3.0291;3.0275,-3.7896,4.2235;2.0931,-4.7124,4.4089;1.3137,-5.1601,3.3469;1.8729,-5.2701,5.7657;.8977,-6.2443,5.9711;.6962,-6.7602,7.2347;1.4615,-6.3107,8.2988;2.4321,-5.3422,8.0992;2.6446,-4.8254,6.8378;1.2603,-6.8179,9.5347;4.3188,-2.2324,2.8769;4.5699,-1.6671,1.6282;5.5548,-.7099,1.4924;6.2921,-.3115,2.5929;6.0474,-.8696,3.8346;5.0607,-1.8231,3.9832;

Chemical Details

Atom Count
Formula:C12H12N2O
All Atoms:64
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:15.0262
Area:751.376
Solvation:-3.7582
Coulombic:-19.2323
Bond Count [?]
All:69
Single:52
Double:17
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.589
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:9.72
LogP (Chemaxon):9.7

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Descriptor Annotations

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