Research chemical
CAS Number: 2016814-98-3
![N-[(11bS)-4-[[(11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-[[(trifluoromethyl)sulfonyl]amino]-4lambda5-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ylidene]amino]-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4lambda5-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ylidene]-1,1,1-trifluoromethanesulfonamide molecular structure, CAS 2016814-98-3](/structure-images/2016814-98-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
126659981
Exact Mass
1787.070526
InChIKey
BBZYHGWSQBPCQX-UHFFFAOYSA-N
IUPAC Name
N-[13-[[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-(trifluoromethylsulfonylimino)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]amino]-10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-ylidene]-1,1,1-trifluoromethanesulfonamide
SMILES String
O=S(=O)(N=P1(NP2(=NS(=O)(=O)C(F)(F)F)Oc3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc4ccccc4c3-c3c(c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc4ccccc34)O2)Oc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c(c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc23)O1)C(F)(F)F
No physical property values available.
XLogP
27.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
119
H-bond acceptors
11
H-bond donors
1
Rotatable bonds
8
Ring count
14
Aromatic rings
12
Topological polar surface area
141.95 Ų
Computed LogP
27.88
Structural features
10 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
N-[(11bS)-4-[[(11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-[[(trifluoromethyl)sulfonyl]amino]-4lambda5-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ylidene]amino]-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4lambda5-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ylidene]-1,1,1-trifluoromethanesulfonamide is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSupplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.