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Chemical ID: 5803277
Chemical ID:
5803277
Name [?]:
4-phenyl-2-(4-phenylphenyl)-5-(p-tolyl)-1H-imidazole
SMILES [?]:
Cc1ccc(cc1)c2c(nc([nH]2)c3ccc(cc3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C28H22N2/c1-20-12-14-24(15-13-20)27-26(23-10-6-3-7-11-23)29-28(30-27)25-18-16-22(17-19-25)21-8-4-2-5-9-21/h2-19H,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,22,28,21,23,27,29,20,24,26,30,3,7,4,6,15,17,14,18,2,19,16,25,5,13,9,8,11,10,12/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:30nCCCCCCCCCNCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s9;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H22N2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8003 |
Area: | 628.807 |
Solvation: | -1.91984 |
Coulombic: | -23.7815 |
Bond Count [?]
All: | 34 |
Single: | 20 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 8.51 |
LogP (Chemaxon): | 7.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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