Research chemical
CAS Number: 1613705-09-1
![5,12-Dibromo-2,9-di(heptadecan-9-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone molecular structure, CAS 1613705-09-1](/structure-images/1613705-09-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155896371
Exact Mass
1024.41513
InChIKey
ORAMIGZMOPREIU-UHFFFAOYSA-N
IUPAC Name
11,22-dibromo-7,18-di(heptadecan-9-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
SMILES String
CCCCCCCCC(CCCCCCCC)N1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(C(CCCCCCCC)CCCCCCCC)C5=O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5,12-Dibromo-2,9-di(heptadecan-9-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone is identified by CAS 1613705-09-1, with molecular formula C58H76Br2N2O4, molecular weight 1025, InChIKey ORAMIGZMOPREIU-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
66
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
30
Ring count
7
Aromatic rings
5
Topological polar surface area
74.76 Ų
Computed LogP
18.19
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
5,12-Dibromo-2,9-di(heptadecan-9-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone (CAS 1613705-09-1) is maintained as a commercial cas reference with formula C58H76Br2N2O4, molecular weight 1025. 00 g/mol, PubChem CID 155896371.
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.