Research chemical
CAS Number: 41699-92-7
![(SP-4-1)-Nickelate(4-), [[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzoato]](6-)]-, tetrahydrogen molecular structure, CAS 41699-92-7](/structure-images/41699-92-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
166593495
Exact Mass
846.12605
InChIKey
KRJLBWKAYPGJOF-UHFFFAOYSA-H
SMILES String
O=C(C1=CC=C(C2=C3C=CC(C(C4=CC=C(C([O-])=O)C=C4)=C5C=CC6=C7C8=CC=C(C([O-])=O)C=C8)=[N]3[Ni+2]9([N-]56)[N-]%10C2=CC=C%10C(C%11=CC=C(C([O-])=O)C=C%11)=C%12C=CC7=[N]9%12)C=C1)[O-].[H+].[H+].[H+].[H+]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(SP-4-1)-Nickelate(4-), [[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzoato]](6-)]-, tetrahydrogen is identified by CAS 41699-92-7, with molecular formula C48H28N4NiO8, molecular weight 847.45, InChIKey KRJLBWKAYPGJOF-UHFFFAOYSA-H.
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.
Heavy atom count
61
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
8
Ring count
9
Aromatic rings
7
Topological polar surface area
184.12 Ų
Computed LogP
4.48
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
(SP-4-1)-Nickelate(4-), [[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzoato]](6-)]-, tetrahydrogen catalog reference for CAS 41699-92-7.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Research chemical sourcing. Custom synthesis and catalog availability review.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
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.