1,1'-Bis(4-formylphenyl)-[4,4'-bipyridine]-1,1'-diium
Product Information
Molecular Formula
C24H18N2O2
Molecular Weight
366.41
Synonyms
1,1'-Bis(4-formylphenyl)-[4,4'-bipyridine]-1,1'-diium; 4,4-Bipyridinium, 1,1-bis(4-formylphenyl); 1,1'-Bis(4-formylphenyl)-4,4'-bipyridinium
IUPAC Name
4-[4-[1-(4-formylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzaldehyde
SMILES
C1=CC(=CC=C1C=O)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C24H18N2O2/c27-17-19-1-5-23(6-2-19)25-13-9-21(10-14-25)22-11-15-26(16-12-22)24-7-3-20(18-28)4-8-24/h1-18H/q+2
InChI Key
YQTHMWVCLNZEPF-UHFFFAOYSA-N
Purity
97%
Safety Information
Hazards
H301+H311+H331
Precautionary Statement
P501-P261-P270-P271-P264-P280-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Safety Class
6.1
GHS Pictogram
GHS06
Signal Word
Danger
Computed Properties
XLogP3
3.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
366.136827821
Monoisotopic Mass
366.136827821
Topological Polar Surface Area
41.9
Heavy Atom Count
28
Formal Charge
2
Complexity
447
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
