Research chemical
CAS Number: 591215-23-5
![4,4'-(3',4',5',6'-Tetrakis(4-(pyridin-4-yl)phenyl)-[1,1':2',1''-terphenyl]-4,4''-diyl)dipyridine molecular structure, CAS 591215-23-5](/structure-images/591215-23-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
57628254
Exact Mass
996.394046
InChIKey
KQMAXWHSCXCCAN-UHFFFAOYSA-N
IUPAC Name
4-[4-[2,3,4,5,6-pentakis(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILES String
c1cc(-c2ccc(-c3c(-c4ccc(-c5ccncc5)cc4)c(-c4ccc(-c5ccncc5)cc4)c(-c4ccc(-c5ccncc5)cc4)c(-c4ccc(-c5ccncc5)cc4)c3-c3ccc(-c4ccncc4)cc3)cc2)ccn1
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'-(3',4',5',6'-Tetrakis(4-(pyridin-4-yl)phenyl)-[1,1':2',1''-terphenyl]-4,4''-diyl)dipyridine is identified by CAS 591215-23-5, with molecular formula C72H48N6, molecular weight 997.2, InChIKey KQMAXWHSCXCCAN-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
78
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
12
Ring count
13
Aromatic rings
13
Topological polar surface area
77.34 Ų
Computed LogP
18.06
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
No
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'-(3',4',5',6'-Tetrakis(4-(pyridin-4-yl)phenyl)-[1,1':2',1''-terphenyl]-4,4''-diyl)dipyridine (CAS 591215-23-5) is maintained as a commercial cas reference with formula C72H48N6, molecular weight 997. 20 g/mol, PubChem CID 57628254.
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.
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.