Research chemical
CAS Number: 71720-85-9
Product details
PubChem CID
166178
Exact Mass
1248.049822
InChIKey
HTFJUPKYCDWBFK-UHFFFAOYSA-J
IUPAC Name
tetrasodium;[1-[[1-[[1-[(9,10-disulfonatooxyanthracen-1-yl)carbamoyl]-4-phenylcyclohexa-2,4-dien-1-yl]diazenyl]-4-phenylcyclohexa-2,4-diene-1-carbonyl]amino]-10-sulfonatooxyanthracen-9-yl] sulfate
SMILES String
C1C=C(C=CC1(C(=O)NC2=CC=CC3=C(C4=CC=CC=C4C(=C32)OS(=O)(=O)[O-])OS(=O)(=O)[O-])N=NC5(CC=C(C=C5)C6=CC=CC=C6)C(=O)NC7=CC=CC8=C(C9=CC=CC=C9C(=C87)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C1=CC=CC=C1.[Na+].[Na+].[Na+].[Na+]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(1,1'-Biphenyl)-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis(N-(9,10-bis(sulfooxy)-1-anthracenyl)-, sodium salt (1:4) is identified by CAS 71720-85-9, with molecular formula C54H36N4Na4O18S4, molecular weight 1249.1, InChIKey HTFJUPKYCDWBFK-UHFFFAOYSA-J.
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
84
H-bond acceptors
22
H-bond donors
2
Rotatable bonds
16
Ring count
10
Aromatic rings
8
Topological polar surface area
348.64 Ų
Computed LogP
-3.73
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
(1,1'-Biphenyl)-4-carboxamide, 4',4'''-(1,2-diazenediyl)bis(N-(9,10-bis(sulfooxy)-1-anthracenyl)-, sodium salt (1:4) (CAS 71720-85-9) is maintained as a commercial cas reference with formula C54H36N4Na4O18S4, molecular weight 1249.
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.