Research chemical
CAS Number: 639006-72-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58273798
Exact Mass
697.2069
InChIKey
TVEFYWLJMQKAIC-UHFFFAOYSA-N
IUPAC Name
iridium(3+);tris(3-methyl-2-phenylpyridine)
SMILES String
CC1=C(N=CC=C1)C2=CC=CC=[C-]2.CC1=C(N=CC=C1)C2=CC=CC=[C-]2.CC1=C(N=CC=C1)C2=CC=CC=[C-]2.[Ir+3]
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.
Tris(2-(3-methylpyridin-2-yl)phenyl)iridium is identified by CAS 639006-72-7, with molecular formula C36H30IrN3, molecular weight 696.9, InChIKey TVEFYWLJMQKAIC-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.
Heavy atom count
40
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
6
Aromatic rings
6
Topological polar surface area
38.67 Ų
Computed LogP
8.57
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
precious metal catalyst or complex
Precious metal motif
Yes
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
Tris(2-(3-methylpyridin-2-yl)phenyl)iridium (CAS 639006-72-7) is listed in the Advanced Chemicals portfolio, with molecular formula C36H30IrN3 and molecular weight 696. 90 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS 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.