Research chemical
CAS Number: 1535206-22-4
![(11BR)-4-hydroxy-9,14-dinitro-2,6-bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide molecular structure, CAS 1535206-22-4](/structure-images/1535206-22-4.png?v=struct-v3)
Product details
PubChem CID
73293629
Exact Mass
842.369604
InChIKey
OVLNZSKDTWNWTF-UHFFFAOYSA-N
IUPAC Name
13-hydroxy-6,20-dinitro-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene 13-oxide
SMILES String
CC(C)c1cc(C(C)C)c(-c2cc3cc([N+](=O)[O-])ccc3c3c2OP(=O)(O)Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4cc([N+](=O)[O-])ccc4c2-3)c(C(C)C)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.
(11BR)-4-hydroxy-9,14-dinitro-2,6-bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide is identified by CAS 1535206-22-4, with molecular formula C50H55N2O8P, molecular weight 843, InChIKey OVLNZSKDTWNWTF-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
61
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
10
Ring count
7
Aromatic rings
6
Topological polar surface area
142.04 Ų
Computed LogP
15.42
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
(11BR)-4-hydroxy-9,14-dinitro-2,6-bis(2,4,6-triisopropylphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide (CAS 1535206-22-4) is maintained as a commercial cas reference with formula C50H55N2O8P, molecular weight 843.
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, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.