Research chemical
CAS Number: 2496575-77-8
![5,9-Di([1,1'-biphenyl]-4-yl)-3,11-di(9H-carbazol-9-yl)-5,9-dihydro-5,9-diaza-13b-boranaphtho[3,2,1-de]anthracene molecular structure, CAS 2496575-77-8](/structure-images/2496575-77-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168086130
Exact Mass
902.358078
InChIKey
XNNSWEYPGJOWOJ-UHFFFAOYSA-N
IUPAC Name
5,17-di(carbazol-9-yl)-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILES String
c1ccc(-c2ccc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5ccc(-n6c7ccccc7c7ccccc76)cc5N(c5ccc(-c6ccccc6)cc5)c5cccc3c54)cc2)cc1
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.
5,9-Di([1,1'-biphenyl]-4-yl)-3,11-di(9H-carbazol-9-yl)-5,9-dihydro-5,9-diaza-13b-boranaphtho[3,2,1-de]anthracene is identified by CAS 2496575-77-8, with molecular formula C66H43BN4, molecular weight 902.9, InChIKey XNNSWEYPGJOWOJ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
71
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
6
Ring count
15
Aromatic rings
13
Topological polar surface area
16.34 Ų
Computed LogP
15.3
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
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
5,9-Di([1,1'-biphenyl]-4-yl)-3,11-di(9H-carbazol-9-yl)-5,9-dihydro-5,9-diaza-13b-boranaphtho[3,2,1-de]anthracene (CAS 2496575-77-8) is maintained as a commercial cas reference with formula C66H43BN4, molecular weight 902. 90 g/mol, PubChem CID 168086130.
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, boronic-acid-related structure.
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.