Research chemical
CAS Number: 2648717-36-4
![4'',4''''',4'''''''',4'''''''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1':4',1''-terphenyl]-3,5-dicarboxylic acid)) molecular structure, CAS 2648717-36-4](/structure-images/2648717-36-4.png?v=struct-v3)
Product details
PubChem CID
168490259
Exact Mass
1292.325536
InChIKey
LKHMEKOBTVLITR-UHFFFAOYSA-N
IUPAC Name
5-[4-[4-[1,2,2-tris[4-[4-(3,5-dicarboxyphenyl)phenyl]phenyl]ethenyl]phenyl]phenyl]benzene-1,3-dicarboxylic acid
SMILES String
O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3ccc(C(=C(c4ccc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)cc4)c4ccc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)cc4)c4ccc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)cc4)cc3)cc2)c1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4'',4''''',4'''''''',4'''''''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1':4',1''-terphenyl]-3,5-dicarboxylic acid)) is identified by CAS 2648717-36-4, with molecular formula C82H52O16, molecular weight 1293.3, InChIKey LKHMEKOBTVLITR-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
98
H-bond acceptors
16
H-bond donors
8
Rotatable bonds
20
Ring count
12
Aromatic rings
12
Topological polar surface area
298.4 Ų
Computed LogP
17.62
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
4'',4''''',4'''''''',4'''''''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1':4',1''-terphenyl]-3,5-dicarboxylic acid)) (CAS 2648717-36-4) is maintained as a commercial cas reference with formula C82H52O16, molecular weight 1293. 30 g/mol, PubChem CID 168490259.
Sourcing context
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Research use context
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Documentation needs
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