Research chemical
CAS Number: 67800-99-1
Product details
PubChem CID
171878
Exact Mass
1148.37339
InChIKey
HJHOLSADRBKEPI-UHFFFAOYSA-N
IUPAC Name
copper 5-N,5-N,17-N,17-N,25-N,25-N-hexabutyl-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31,33,35-nonadecaene-5,17,25-trisulfonamide
SMILES String
CCCCN(CCCC)S(=O)(=O)C1=CC2=C3[N-]C(=C2C=C1)N=C4C5=C(C=CC=C5S(=O)(=O)N(CCCC)CCCC)C(=N4)N=C6C7=C(C(=CC=C7)S(=O)(=O)N(CCCC)CCCC)C(=NC8=NC(=N3)C9=CC=CC=C98)[N-]6.[Cu+2]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)- is identified by CAS 67800-99-1, with molecular formula C56H67CuN11O6S3, molecular weight 1149.9, InChIKey HJHOLSADRBKEPI-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
77
H-bond acceptors
17
H-bond donors
0
Rotatable bonds
24
Ring count
9
Aromatic rings
7
Topological polar surface area
217.68 Ų
Computed LogP
10.9
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
Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)- (CAS 67800-99-1) is maintained as a commercial cas reference with formula C56H67CuN11O6S3, molecular weight 1149.
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, transition-metal-containing structure.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.