Chemical ID: 3964367

c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4ccnc4I
Chemical ID:
3964367
Name [?]:
2-iodo-1-trityl-imidazole
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4ccnc4I
InChi [?]:
InChI=1/C22H17IN2/c23-21-24-16-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,3,5,9,13,15,19,22,21,4,8,14,24,7,25,23,20/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(18,19,20)/rA:25nCCCCCCCCCCCCCCCCCCCNCCNCI/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;d21;s22;s20d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17IN2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9914
Area:505.25
Solvation:-1.63981
Coulombic:-18.9255
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:436.288
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.6
LogP (Chemaxon):6.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue