Synonyms
1-[2,6-Di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide
IUPAC Name
1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide
Molecular Weight
630.50
Molecular Formula
C31H42Br2N4
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=C(C=CC=C4C(C)C)C(C)C.[Br-].[Br-];
InChI
ZZGWEIDPDBDPOH-UHFFFAOYSA-L
InChI Key
InChI=1S/C31H42N4.2BrH/c1-22(2)26-11-9-12-27(23(3)4)30(26)34-17-15-32(20-34)19-33-16-18-35(21-33)31-28(24(5)6)13-10-14-29(31)25(7)8;;/h9-18,20-25H,19H2,1-8H3;2*1H/q+2;;/p-2
Melting Point
277 °C(lit.)
Purity
98%+
Complexity
560
Covalently-Bonded Unit Count
3
Exact Mass
630.176g/mol
H-Bond Acceptor
2
Heavy Atom Count
37
Isomeric SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=C(C=CC=C4C(C)C)C(C)C.[Br-].[Br-]
Monoisotopic Mass
628.178g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
17.6A^2
