Research chemical
CAS Number: 1942863-41-3
![5',5''''-(Ethyne-1,2-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) molecular structure, CAS 1942863-41-3](/structure-images/1942863-41-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
138751346
Exact Mass
658.162768
InChIKey
ZCGXJSMLLYFEEE-UHFFFAOYSA-N
IUPAC Name
4-[3-[2-[3,5-bis(4-carboxyphenyl)phenyl]ethynyl]-5-(4-carboxyphenyl)phenyl]benzoic acid
SMILES String
O=C(O)c1ccc(-c2cc(C#Cc3cc(-c4ccc(C(=O)O)cc4)cc(-c4ccc(C(=O)O)cc4)c3)cc(-c3ccc(C(=O)O)cc3)c2)cc1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5',5''''-(Ethyne-1,2-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) is identified by CAS 1942863-41-3, with molecular formula C42H26O8, molecular weight 658.6, InChIKey ZCGXJSMLLYFEEE-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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
50
H-bond acceptors
8
H-bond donors
4
Rotatable bonds
8
Ring count
6
Aromatic rings
6
Topological polar surface area
149.2 Ų
Computed LogP
8.55
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
5',5''''-(Ethyne-1,2-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS 1942863-41-3) is maintained as a commercial cas reference with formula C42H26O8, molecular weight 658. 60 g/mol, PubChem CID 138751346.
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.
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.