Research chemical
CAS Number: 39001-64-4
Product details
PubChem CID
3646652
Exact Mass
799.32979
InChIKey
IDACJLJAKMQWEW-UHFFFAOYSA-N
IUPAC Name
copper 6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILES String
CC(C)(C1=CC2=C3[N-]4C(N=C5[N]6=C(C7=CC=C(C(C)(C)C)C=C57)N=C8[N-]9[Cu+2]46[N](C(C%10=CC=C(C(C)(C)C)C=C%11%10)=N3)=C%11N=C9C%12=CC=C(C(C)(C)C)C=C8%12)=C2C=C1)C
4,4',4'',4'''-Tetra-tert-butylphthalocyanine copper(II) , Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine is identified by CAS 39001-64-4, with molecular formula C48H48CuN8, molecular weight 800.49, InChIKey IDACJLJAKMQWEW-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.
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
57
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
0
Ring count
9
Aromatic rings
7
Topological polar surface area
75.16 Ų
Computed LogP
11.31
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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 - Transition Metal Catalyst or Complex (CAS 39001-64-4) is listed for transition metal catalyst or coordination-complex sourcing.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: metal-centered catalyst screening and ligand-set evaluation, 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 RequestShipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.