Research chemical
CAS Number: 1092695-14-1
![5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine molecular structure, CAS 1092695-14-1](/structure-images/1092695-14-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
102041262
Exact Mass
687.25384
InChIKey
LJUJDGCREBDENF-NCRNUEESSA-N
IUPAC Name
11-[(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]benzo[b][1]benzazepine
SMILES String
CC(O1)(C)O[C@]2([H])[C@]1([H])C(C3=CC=CC=C3)(C4=CC=CC=C4)OP(N5C6=CC=CC=C6C=CC7=CC=CC=C75)OC2(C8=CC=CC=C8)C9=CC=CC=C9
No physical property values available.
5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine is identified by CAS 1092695-14-1, with molecular formula C45H38NO4P, molecular weight 687.76, InChIKey LJUJDGCREBDENF-NCRNUEESSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
51
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
5
Ring count
9
Aromatic rings
6
Topological polar surface area
40.16 Ų
Computed LogP
10.99
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
Research Compound - Phosphine Ligand with Complex Heterocycle (CAS 1092695-14-1) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Safety and handling reference content is available through documentation requests.
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 RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.