Chemical ID: 5801757

CSc1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6
Chemical ID:
5801757
Name [?]:
2-(4-methylsulfanylphenyl)-4,5-bis(4-phenylphenyl)-1H-imidazole
SMILES [?]:
CSc1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6
InChi [?]:
InChI=1/C34H26N2S/c1-37-31-22-20-30(21-23-31)34-35-32(28-16-12-26(13-17-28)24-8-4-2-5-9-24)33(36-34)29-18-14-27(15-19-29)25-10-6-3-7-11-25/h2-23H,1H3,(H,35,36)
InChi Info:
AuxInfo=1/1/N:1,23,35,22,24,34,36,21,25,33,37,16,18,28,30,15,19,27,31,5,7,4,8,20,32,17,29,14,26,6,3,12,11,9,13,10,2/E:(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)(32,33)(35,36)/rA:37nCSCCCCCCCNCCNCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;d9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;s11;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H26N2S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:16.7188
Area:770.704
Solvation:-2.54876
Coulombic:-25.6765
Bond Count [?]
All:42
Single:25
Double:17
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:494.65
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:10.75
LogP (Chemaxon):9.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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