Research chemical
CAS Number: 25811-56-7
![2,9-Dihexylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone molecular structure, CAS 25811-56-7](/structure-images/25811-56-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
12662880
Exact Mass
558.251858
InChIKey
DAMUEXRCHXVMQS-UHFFFAOYSA-N
IUPAC Name
7,18-dihexyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILES String
CCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCC)C5=O
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.
2,9-Dihexylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone is identified by CAS 25811-56-7, with molecular formula C36H34N2O4, molecular weight 558.7, InChIKey DAMUEXRCHXVMQS-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
42
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
10
Ring count
7
Aromatic rings
5
Topological polar surface area
74.76 Ų
Computed LogP
8.09
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
2,9-Dihexylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone (CAS 25811-56-7) is maintained as a commercial cas reference with formula C36H34N2O4, molecular weight 558. 70 g/mol, PubChem CID 12662880.
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.