Research chemical
CAS Number: 266678-68-6
![5,6,12,13-Tetrakis[4-(1,1-dimethylethyl)phenoxy]-2,9-DI-4-pyridinylanthra[2,1,9-def:6,5,10-D'E'F']diisoquinoline-1,3,8,10(2H,9H)-tetrone molecular structure, CAS 266678-68-6](/structure-images/266678-68-6.png?v=struct-v3)
Product details
PubChem CID
101019183
Exact Mass
1136.472415
InChIKey
QVYBYTKNXSOUGC-UHFFFAOYSA-N
IUPAC Name
11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILES String
CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)N(c2ccncc2)C7=O)C(=O)N(c2ccncc2)C3=O)cc1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
5,6,12,13-Tetrakis[4-(1,1-dimethylethyl)phenoxy]-2,9-DI-4-pyridinylanthra[2,1,9-def:6,5,10-D'E'F']diisoquinoline-1,3,8,10(2H,9H)-tetrone is identified by CAS 266678-68-6, with molecular formula C74H64N4O8, molecular weight 1137.3, InChIKey QVYBYTKNXSOUGC-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
86
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
10
Ring count
13
Aromatic rings
11
Topological polar surface area
137.46 Ų
Computed LogP
18.49
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
5,6,12,13-Tetrakis[4-(1,1-dimethylethyl)phenoxy]-2,9-DI-4-pyridinylanthra[2,1,9-def:6,5,10-D'E'F']diisoquinoline-1,3,8,10(2H,9H)-tetrone (CAS 266678-68-6) is maintained as a commercial cas reference with formula C74H64N4O8, molecular weight 1137.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.