Research chemical
CAS Number: 1353759-14-4
![4,9-Dibromo-2,7-bis(2-hexyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure, CAS 1353759-14-4](/structure-images/1353759-14-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
139034530
Exact Mass
816.28993
InChIKey
OJDLEPSVJYCTSB-UHFFFAOYSA-N
IUPAC Name
2,9-dibromo-6,13-bis(2-hexyloctyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILES String
CCCCCCC(CCCCCC)CN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CC(CCCCCC)CCCCCC)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.
4,9-Dibromo-2,7-bis(2-hexyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone is identified by CAS 1353759-14-4, with molecular formula C42H60Br2N2O4, molecular weight 816.7, InChIKey OJDLEPSVJYCTSB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
24
Ring count
4
Aromatic rings
2
Topological polar surface area
74.76 Ų
Computed LogP
12.67
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
4,9-Dibromo-2,7-bis(2-hexyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone (CAS 1353759-14-4) is maintained as a commercial cas reference with formula C42H60Br2N2O4, molecular weight 816. 70 g/mol, PubChem CID 139034530.
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.