Research chemical
CAS Number: 2557595-45-4
![(11aR)-3,7-Bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-10,11,12,13-tetrahydro-5-hydroxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin molecular structure, CAS 2557595-45-4](/structure-images/2557595-45-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
154704605
Exact Mass
1314.157672
InChIKey
PYUJPINRSALQLD-UHFFFAOYSA-N
IUPAC Name
1,10-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
SMILES String
O=P1(O)Oc2c(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)ccc3c2C2(CC3)CCc3ccc(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)c(c32)O1
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.
(11aR)-3,7-Bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-10,11,12,13-tetrahydro-5-hydroxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin is identified by CAS 2557595-45-4, with molecular formula C61H31F24O4P, molecular weight 1314.8, InChIKey PYUJPINRSALQLD-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
90
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
6
Ring count
11
Aromatic rings
8
Topological polar surface area
55.76 Ų
Computed LogP
21.89
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organophosphorus reagent
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
(11aR)-3,7-Bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-10,11,12,13-tetrahydro-5-hydroxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin (CAS 2557595-45-4) is maintained as a commercial cas reference with formula C61H31F24O4P, molecular weight 1314.
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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.