Chemical ID: 4308666

c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4ccc(cc4)O)c5ccc(cc5)c6ccccc6
Chemical ID:
4308666
Name [?]:
4-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3c(nc([nH]3)c4ccc(cc4)O)c5ccc(cc5)c6ccccc6
InChi [?]:
InChI=1/C33H24N2O/c36-30-21-19-29(20-22-30)33-34-31(27-15-11-25(12-16-27)23-7-3-1-4-8-23)32(35-33)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22,36H,(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,34,2,6,33,35,3,5,32,36,8,12,27,29,9,11,26,30,19,23,20,22,4,31,7,28,10,25,18,21,13,14,16,17,15,24/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)(31,32)(34,35)/rA:36nCCCCCCCCCCCCCCNCNCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;s14;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H24N2O
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.0049
Area:727.775
Solvation:-3.18952
Coulombic:-40.3223
Bond Count [?]
All:41
Single:24
Double:17
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:464.557
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:9.61
LogP (Chemaxon):8.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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