Research chemical
CAS Number: 2586215-78-1
![N-((11bS)-2-(4,6-Dihydropyren-1-yl)-4-oxido-6-(pyren-1-yl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide molecular structure, CAS 2586215-78-1](/structure-images/2586215-78-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155819542
Exact Mass
889.223866
InChIKey
AYQUGUKQLQQIEA-UHFFFAOYSA-N
IUPAC Name
N-[10-(4,6-dihydropyren-1-yl)-13-oxo-16-pyren-1-yl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl]-1,1,1-trifluoromethanesulfonamide
SMILES String
O=P1(NS(=O)(=O)C(F)(F)F)Oc2c(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc3c(c2-c2c4c(cc(-c5ccc6ccc7cccc8ccc5c6c78)c2O1)CCCC4)CCCC3
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.
N-((11bS)-2-(4,6-Dihydropyren-1-yl)-4-oxido-6-(pyren-1-yl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide is identified by CAS 2586215-78-1, with molecular formula C53H39F3NO5PS, molecular weight 889.9, InChIKey AYQUGUKQLQQIEA-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
64
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
4
Ring count
13
Aromatic rings
8
Topological polar surface area
81.7 Ų
Computed LogP
14.17
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.
Structural features
90 g/mol, PubChem CID 155819542.
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; structure-derived tags include nitrogen-containing heterocycle.
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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.