Research chemical
CAS Number: 69458-20-4
![4-Methylbenzenesulfonate;trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium molecular structure, CAS 69458-20-4](/structure-images/69458-20-4.png?v=struct-v3)
Product details
PubChem CID
11979964
Exact Mass
1530.556105
InChIKey
AKFPMEOALZKHNR-UHFFFAOYSA-J
IUPAC Name
tetrakis(4-methylbenzenesulfonate);trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium
SMILES String
C[N+](C)(C)c1ccc(-c2c3nc(c(-c4ccc([N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc([N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc([N+](C)(C)C)cc4)c4nc2C=C4)C=C3)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-Methylbenzenesulfonate;trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium is identified by CAS 69458-20-4, with molecular formula C84H90N8O12S4, molecular weight 1531.9, InChIKey AKFPMEOALZKHNR-UHFFFAOYSA-J.
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
108
H-bond acceptors
20
H-bond donors
2
Rotatable bonds
12
Ring count
13
Aromatic rings
11
Topological polar surface area
286.16 Ų
Computed LogP
15.71
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
4-Methylbenzenesulfonate;trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium (CAS 69458-20-4) is maintained as a commercial cas reference with formula C84H90N8O12S4, molecular weight 1531.
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.
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.