Synonyms
1146634-86-7;3,3'-(1R)-[1,1'-Binaphthalene]-2,2'-diylbis[1-methyl-1H-benzimidazolium] iodide;
IUPAC Name
1-methyl-3-[1-[2-(3-methylbenzimidazol-3-ium-1-yl)naphthalen-1-yl]naphthalen-2-yl]benzimidazol-1-ium;diiodide;
Molecular Weight
770.457g/mol
Molecular Formula
C36H28I2N4;
Canonical SMILES
C[N+]1=CN(C2=CC=CC=C21)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)N7C=[N+](C8=CC=CC=C87)C.[I-].[I-];
InChI
InChI=1S/C36H28N4.2HI/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;;/h3-24H,1-2H3;2*1H/q+2;;/p-2;
InChI Key
KITGFJVGTSLLMC-UHFFFAOYSA-L;
Complexity
807
Covalently-Bonded Unit Count
3
Exact Mass
770.04g/mol
H-Bond Acceptor
2
Heavy Atom Count
42
Monoisotopic Mass
770.04g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
17.6A^2
