Research chemical
CAS Number: 1464815-28-8
![(11bR)-2,6-Bis(3,3'',5,5''-tetrakis(trifluoromethyl)-[1,1':3',1''-terphenyl]-5'-yl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide molecular structure, CAS 1464815-28-8](/structure-images/1464815-28-8.png?v=struct-v3)
Product details
PubChem CID
72736248
Exact Mass
1395.11547
InChIKey
LGKKLVHSWMWMRM-UHFFFAOYSA-N
IUPAC Name
10,16-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
SMILES String
O=S1(NS(=O)(C2=C(C3=C1C(C4=CC(C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)=CC(C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)=C4)=CC7=C3C=CC=C7)C8=C(C=CC=C8)C=C2C9=CC(C%10=CC(C(F)(F)F)=CC(C(F)(F)F)=C%10)=CC(C%11=CC(C(F)(F)F)=CC(C(F)(F)F)=C%11)=C9)=O)=O
(11bR)-2,6-Bis(3,3'',5,5''-tetrakis(trifluoromethyl)-[1,1':3',1''-terphenyl]-5'-yl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide is identified by CAS 1464815-28-8, with molecular formula C64H29F24NO4S2, molecular weight 1396.01, InChIKey LGKKLVHSWMWMRM-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.
For laboratory research and professional procurement workflows.
Appearance
Powder or crystals
Physical State
powder or crystals or crystal
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
95
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
6
Ring count
11
Aromatic rings
10
Topological polar surface area
80.31 Ų
Computed LogP
21.79
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.
Structural features
Research Catalog Compound - N-Heterocycle Ligand (CAS 1464815-28-8) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, 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.