Research chemical
CAS Number: 2803452-14-2
![2,2',2'',2'''-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis([1,1':3',1''-terphenyl]-5',4,4''-triyl))tetraacetonitrile molecular structure, CAS 2803452-14-2](/structure-images/2803452-14-2.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
163201359
Exact Mass
748.240916
InChIKey
DBYGFDJBENUUIS-UHFFFAOYSA-N
IUPAC Name
2-[4-[3-[4-[3,5-bis[4-(cyanomethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]-5-[4-(cyanomethyl)phenyl]phenyl]phenyl]acetonitrile
SMILES String
N#CCc1ccc(-c2cc(-c3ccc(CC#N)cc3)cc(-c3ccc(-c4cc(-c5ccc(CC#N)cc5)cc(-c5ccc(CC#N)cc5)c4)c4nsnc34)c2)cc1
No physical property values available.
XLogP
10.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
57
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
10
Ring count
8
Aromatic rings
8
Topological polar surface area
120.94 Ų
Computed LogP
11.96
Structural features
2,2',2'',2'''-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis([1,1':3',1''-terphenyl]-5',4,4''-triyl))tetraacetonitrile (CAS 2803452-14-2) is listed in the Materials Science portfolio, with molecular formula C50H32N6S and molecular weight 748. 90 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for materials chemistry research and formulation screening workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2,2',2'',2'''-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis([1,1':3',1''-terphenyl]-5',4,4''-triyl))tetraacetonitrile is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.