Chemical ID: 4607298

c1ccc(cc1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)Br)c5ccccc5
Chemical ID:
4607298
Name [?]:
4-(4-bromophenyl)-5-phenyl-2-(4-phenylphenyl)-1H-imidazole
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)Br)c5ccccc5
InChi [?]:
InChI=1/C27H19BrN2/c28-24-17-15-22(16-18-24)26-25(21-9-5-2-6-10-21)29-27(30-26)23-13-11-20(12-14-23)19-7-3-1-4-8-19/h1-18H,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,28,2,6,27,29,3,5,26,30,8,12,9,11,19,23,20,22,4,7,25,18,10,21,15,16,13,24,14,17/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:30nCCCCCCCCCCCCCNCCNCCCCCCBrCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;d13s16;s16;s18;d19;s20;d21;d18s22;s21;s15;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H19BrN2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.114
Area:639.279
Solvation:-1.86792
Coulombic:-23.7873
Bond Count [?]
All:34
Single:20
Double:14
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:451.357
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.87
LogP (Chemaxon):8.05

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Descriptor Annotations

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