Research chemical
CAS Number: 2086725-21-3
![4,5,9,10-Tetrabromo-2,7-didodecylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure, CAS 2086725-21-3](/structure-images/2086725-21-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
139036067
Exact Mass
918.04631
InChIKey
NIWVLYZZXSMFCE-UHFFFAOYSA-N
IUPAC Name
2,3,9,10-tetrabromo-6,13-didodecyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILES String
CCCCCCCCCCCCN1C(=O)c2c(Br)c(Br)c3c4c(c(Br)c(Br)c(c24)C1=O)C(=O)N(CCCCCCCCCCCC)C3=O
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4,5,9,10-Tetrabromo-2,7-didodecylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone is identified by CAS 2086725-21-3, with molecular formula C38H50Br4N2O4, molecular weight 918.4, InChIKey NIWVLYZZXSMFCE-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
22
Ring count
4
Aromatic rings
2
Topological polar surface area
74.76 Ų
Computed LogP
12.92
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
4,5,9,10-Tetrabromo-2,7-didodecylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone (CAS 2086725-21-3) is maintained as a commercial cas reference with formula C38H50Br4N2O4, molecular weight 918. 40 g/mol, PubChem CID 139036067.
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.