Research chemical
CAS Number: 121188-22-5
![4,4'-(1,4-Phenylene)bis[1-(4-methylphenyl)-2,6-diphenylpyridinium] ditetrafluoroborate molecular structure, CAS 121188-22-5](/structure-images/121188-22-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
44888518
Exact Mass
892.340635
InChIKey
DUQVFEJAWRETHS-UHFFFAOYSA-N
IUPAC Name
1-(4-methylphenyl)-4-[4-[1-(4-methylphenyl)-2,6-diphenylpyridin-1-ium-4-yl]phenyl]-2,6-diphenylpyridin-1-ium ditetrafluoroborate
SMILES String
Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)[n+](-c5ccc(C)cc5)c(-c5ccccc5)c4)cc3)cc2-c2ccccc2)cc1.F[B-](F)(F)F.F[B-](F)(F)F
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
4,4'-(1,4-Phenylene)bis[1-(4-methylphenyl)-2,6-diphenylpyridinium] ditetrafluoroborate is identified by CAS 121188-22-5, with molecular formula C54H42B2F8N2, molecular weight 892.5, InChIKey DUQVFEJAWRETHS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
66
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
8
Ring count
9
Aromatic rings
9
Topological polar surface area
7.76 Ų
Computed LogP
15.46
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4,4'-(1,4-Phenylene)bis[1-(4-methylphenyl)-2,6-diphenylpyridinium] ditetrafluoroborate (CAS 121188-22-5) is maintained as a commercial cas reference with formula C54H42B2F8N2, molecular weight 892. 50 g/mol, PubChem CID 44888518.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.