Chemical ID: 4830302

Cc1ccc(cc1)c2nc3cc(ccc3o2)Cc4ccc5c(c4)nc(o5)c6ccc(cc6)C
Chemical ID:
4830302
Name [?]:
2-(p-tolyl)-5-[[2-(p-tolyl)benzooxazol-5-yl]methyl]benzooxazole
SMILES [?]:
Cc1ccc(cc1)c2nc3cc(ccc3o2)Cc4ccc5c(c4)nc(o5)c6ccc(cc6)C
InChi [?]:
InChI=1/C29H22N2O2/c1-18-3-9-22(10-4-18)28-30-24-16-20(7-13-26(24)32-28)15-21-8-14-27-25(17-21)31-29(33-27)23-11-5-19(2)6-12-23/h3-14,16-17H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,3,7,29,31,13,19,4,6,28,32,14,20,17,11,23,2,30,12,18,5,27,10,22,15,21,8,25,9,24,16,26/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33nCCCCCCCCNCCCCCCOCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s12;s17;s18;d19;s20;d21;d18s22;s22;d24;s21s25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H22N2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.5208
Area:684.861
Solvation:-2.60075
Coulombic:-33.5536
Bond Count [?]
All:38
Single:24
Double:14
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.497
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.14
LogP (Chemaxon):9.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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