Research chemical
CAS Number: 3029269-91-5
![5''-(3,5-Bis(6-carboxynaphthalen-2-yl)phenyl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid molecular structure, CAS 3029269-91-5](/structure-images/3029269-91-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168719818
Exact Mass
886.256668
InChIKey
JGFLRVPMNUZMCW-UHFFFAOYSA-N
IUPAC Name
6-[3-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]-5-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
SMILES String
O=C(O)c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)cc(-c4cc(-c5ccc6cc(C(=O)O)ccc6c5)cc(-c5ccc6cc(C(=O)O)ccc6c5)c4)c3)cc2)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''-(3,5-Bis(6-carboxynaphthalen-2-yl)phenyl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid is identified by CAS 3029269-91-5, with molecular formula C60H38O8, molecular weight 886.9, InChIKey JGFLRVPMNUZMCW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
68
H-bond acceptors
8
H-bond donors
4
Rotatable bonds
11
Ring count
10
Aromatic rings
10
Topological polar surface area
149.2 Ų
Computed LogP
14.45
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''-(3,5-Bis(6-carboxynaphthalen-2-yl)phenyl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid (CAS 3029269-91-5) is maintained as a commercial cas reference with formula C60H38O8, molecular weight 886. 90 g/mol, PubChem CID 168719818.
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.
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