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Chemical ID: 4848566
Chemical ID:
4848566
Name [?]:
4-[4-(2,5-diphenyl-3H-imidazol-4-yl)phenyl]-2,5-diphenyl-1H-imidazole
SMILES [?]:
c1ccc(cc1)c2c(nc([nH]2)c3ccccc3)c4ccc(cc4)c5c(nc([nH]5)c6ccccc6)c7ccccc7
InChi [?]:
InChI=1/C36H26N4/c1-5-13-25(14-6-1)31-33(39-35(37-31)29-17-9-3-10-18-29)27-21-23-28(24-22-27)34-32(26-15-7-2-8-16-26)38-36(40-34)30-19-11-4-12-20-30/h1-24H,(H,37,39)(H,38,40)
InChi Info:
AuxInfo=1/1/N:1,38,15,32,2,6,37,39,14,16,31,33,3,5,36,40,13,17,30,34,19,23,20,22,4,35,18,21,12,29,7,25,8,24,10,27,11,26,9,28/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)/gE:(1,2)/rA:40nCCCCCCCCNCNCCCCCCCCCCCCCCNCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s8;s18;d19;s20;d21;d18s22;s21;d24;s25;d26;s24s27;s27;s29;d30;s31;d32;d29s33;s25;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C36H26N4 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.8562 |
Area: | 779.574 |
Solvation: | -2.63317 |
Coulombic: | -42.7241 |
Bond Count [?]
All: | 46 |
Single: | 27 |
Double: | 19 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 514.619 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 10.24 |
LogP (Chemaxon): | 9.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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