Research chemical
CAS Number: 2227093-90-3
![5',5''''-(Buta-1,3-diyne-1,4-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) molecular structure, CAS 2227093-90-3](/structure-images/2227093-90-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
166595052
Exact Mass
682.162768
InChIKey
LVPSTLTWYABQPF-UHFFFAOYSA-N
IUPAC Name
4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]buta-1,3-diynyl]-5-(4-carboxyphenyl)phenyl]benzoic acid
SMILES String
O=C(O)c1ccc(-c2cc(C#CC#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
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
5',5''''-(Buta-1,3-diyne-1,4-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) is identified by CAS 2227093-90-3, with molecular formula C44H26O8, molecular weight 682.7, InChIKey LVPSTLTWYABQPF-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
52
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''''-(Buta-1,3-diyne-1,4-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS 2227093-90-3) is maintained as a commercial cas reference with formula C44H26O8, molecular weight 682. 70 g/mol, PubChem CID 166595052.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.