Research chemical
CAS Number: 314-13-6
![6,6'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid] molecular structure, CAS 314-13-6](/structure-images/314-13-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3315
Exact Mass
872.054634
InChIKey
COXVTLYNGOIATD-UHFFFAOYSA-N
IUPAC Name
4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
SMILES String
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O
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.
6,6'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid] is identified by CAS 314-13-6, with molecular formula C34H28N6O14S4, molecular weight 872.9, InChIKey COXVTLYNGOIATD-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
58
H-bond acceptors
20
H-bond donors
10
Rotatable bonds
9
Ring count
6
Aromatic rings
6
Topological polar surface area
359.42 Ų
Computed LogP
6.67
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
6,6'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid] (CAS 314-13-6) is maintained as a commercial cas reference with formula C34H28N6O14S4, molecular weight 872. 90 g/mol, PubChem CID 3315.
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.