Research chemical
CAS Number: 63123-18-2
![3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1) molecular structure, CAS 63123-18-2](/structure-images/63123-18-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
112554
Exact Mass
625.239913
InChIKey
RHYBTAZGAJJDLU-UHFFFAOYSA-M
IUPAC Name
2-[2-(1,2-diphenylindol-3-yl)ethenyl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium;4-methylbenzenesulfonate
SMILES String
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=C(N=CC=C2)[N+](=C1C=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6)C)C
No physical property values available.
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.
3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1) is identified by CAS 63123-18-2, with molecular formula C39H35N3O3S, molecular weight 625.8, InChIKey RHYBTAZGAJJDLU-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
5
Ring count
7
Aromatic rings
6
Topological polar surface area
78.03 Ų
Computed LogP
8.31
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
3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1) (CAS 63123-18-2) is maintained as a commercial cas reference with formula C39H35N3O3S, molecular weight 625. 80 g/mol, PubChem CID 112554.
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.