Research chemical
CAS Number: 879505-38-1
![(S)-N,N'-(1,1'-Binaphthalene]-2,2'-diyl)bis(2-diphenylphosphinobenzamide) molecular structure, CAS 879505-38-1](/structure-images/879505-38-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
101064110
Exact Mass
860.27215
InChIKey
DQKIOHHUGWDBKJ-UHFFFAOYSA-N
IUPAC Name
2-diphenylphosphanyl-N-[1-[2-[(2-diphenylphosphanylbenzoyl)amino]naphthalen-1-yl]naphthalen-2-yl]benzamide
SMILES String
O=C(C1=C(C=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)NC4=C(C5=C(NC(C6=C(C=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8)=O)C=CC9=C5C=CC=C9)C%10=C(C=CC=C%10)C=C4
(S)-N,N'-(1,1'-Binaphthalene]-2,2'-diyl)bis(2-diphenylphosphinobenzamide) is identified by CAS 879505-38-1, with molecular formula C58H42N2O2P2, molecular weight 860.91, InChIKey DQKIOHHUGWDBKJ-UHFFFAOYSA-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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Appearance
White to yellow powder or crystals
Physical State
powder or crystals or crystal
XLogP
13.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
64
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
11
Ring count
10
Aromatic rings
10
Topological polar surface area
58.2 Ų
Computed LogP
11.68
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 Catalog Compound with Phosphine Ligand (CAS 879505-38-1) 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.
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 RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.