Synonyms
1,3-Bis(2-benzhydryl-4,6-dimethylphenyl)-2H-imidazol-1-ium-2-ide;chloronickel;cyclopentane
Molecular Weight
773.1
Molecular Formula
C50H50ClN2Ni
Canonical SMILES
CC1=CC(=C(C(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C=C[N+](=[C-]4)C5=C(C=C(C=C5C(C6=CC=CC=C6)C7=CC=CC=C7)C)C)C.C1CCCC1.Cl[Ni]
InChI
InChI=1S/C45H40N2.C5H10.ClH.Ni/c1-32-27-34(3)44(40(29-32)42(36-17-9-5-10-18-36)37-19-11-6-12-20-37)46-25-26-47(31-46)45-35(4)28-33(2)30-41(45)43(38-21-13-7-14-22-38)39-23-15-8-16-24-39;1-2-4-5-3-1;/h5-30,42-43H,1-4H3;1-5H2;1H;/q;+1/p-1
InChI Key
QVLFTWIKWLMGRO-UHFFFAOYSA-M
Purity
98%
Appearance
Pink purple powder
Complexity
930
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
0
Exact Mass
771.301594
Heavy Atom Count
54
Monoisotopic Mass
771.301594
Rotatable Bond Count
8
Topological Polar Surface Area
6.2 Ų
