Research chemical
CAS Number: 2757068-98-5
![9-[1,1'-Biphenyl]-4-YL-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl]-9H-carbazol-3-amine molecular structure, CAS 2757068-98-5](/structure-images/2757068-98-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177676245
Exact Mass
612.294809
InChIKey
PIYMMIQTVBWONZ-UHFFFAOYSA-N
IUPAC Name
N-phenyl-9-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-amine
SMILES String
CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C
No physical property values available.
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.
9-[1,1'-Biphenyl]-4-YL-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl]-9H-carbazol-3-amine is identified by CAS 2757068-98-5, with molecular formula C42H37BN2O2, molecular weight 612.6, InChIKey PIYMMIQTVBWONZ-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
47
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
7
Topological polar surface area
26.63 Ų
Computed LogP
10.22
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
9-[1,1'-Biphenyl]-4-YL-N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl]-9H-carbazol-3-amine (CAS 2757068-98-5) is maintained as a commercial cas reference with formula C42H37BN2O2, molecular weight 612. 60 g/mol, PubChem CID 177676245.
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.