Research chemical
CAS Number: 429693-14-1
![2,7-Bis(4H-1,2,4-triazol-4-YL)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone molecular structure, CAS 429693-14-1](/structure-images/429693-14-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
10111578
Exact Mass
400.066851
InChIKey
FKMLEWQLGKHJEK-UHFFFAOYSA-N
IUPAC Name
6,13-bis(1,2,4-triazol-4-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILES String
O=C1c2ccc3c4c(ccc(c24)C(=O)N1n1cnnc1)C(=O)N(n1cnnc1)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.
2,7-Bis(4H-1,2,4-triazol-4-YL)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone is identified by CAS 429693-14-1, with molecular formula C18H8N8O4, molecular weight 400.3, InChIKey FKMLEWQLGKHJEK-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.
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
30
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
2
Ring count
6
Aromatic rings
4
Topological polar surface area
136.18 Ų
Computed LogP
-0.11
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
2,7-Bis(4H-1,2,4-triazol-4-YL)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone (CAS 429693-14-1) is maintained as a commercial cas reference with formula C18H8N8O4, molecular weight 400. 30 g/mol, PubChem CID 10111578.
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.