Research chemical
CAS Number: 777882-13-0
![N,N'-[(3-Oxo-1-propene-1,3-diyl)dibenzene-3,1-diyl]bis{1,3-dioxo-2-[4-(phenyldiazenyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide} molecular structure, CAS 777882-13-0](/structure-images/777882-13-0.png?v=struct-v3)
Product details
PubChem CID
71951165
Exact Mass
944.270696
InChIKey
UTVKMYUTSQHOJE-UHFFFAOYSA-N
IUPAC Name
N-[3-[3-[3-[[1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carbonyl]amino]phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
SMILES String
O=C(C=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N=Nc4ccccc4)cc2)C3=O)c1)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N=Nc4ccccc4)cc2)C3=O)c1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N,N'-[(3-Oxo-1-propene-1,3-diyl)dibenzene-3,1-diyl]bis{1,3-dioxo-2-[4-(phenyldiazenyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide} is identified by CAS 777882-13-0, with molecular formula C57H36N8O7, molecular weight 944.9, InChIKey UTVKMYUTSQHOJE-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
72
H-bond acceptors
15
H-bond donors
2
Rotatable bonds
13
Ring count
10
Aromatic rings
8
Topological polar surface area
199.47 Ų
Computed LogP
12.52
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
N,N'-[(3-Oxo-1-propene-1,3-diyl)dibenzene-3,1-diyl]bis{1,3-dioxo-2-[4-(phenyldiazenyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide} (CAS 777882-13-0) is maintained as a commercial cas reference with formula C57H36N8O7, molecular weight 944.
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.