Research chemical
CAS Number: 1883396-49-3
![(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis[bis[4-(tert-butyl)phenyl]methanol] molecular structure, CAS 1883396-49-3](/structure-images/1883396-49-3.png?v=struct-v3)
Product details
PubChem CID
102359857
Exact Mass
960.55938
InChIKey
OQFZBKMYSVSZDZ-UHFFFAOYSA-N
IUPAC Name
[16-[bis(4-tert-butylphenyl)-hydroxymethyl]-13-pyridin-4-yl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-bis(4-tert-butylphenyl)methanol
SMILES String
CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2cc3ccccc3c3c2CN(c2ccncc2)Cc2c(C(O)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4ccccc4c2-3)cc1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis[bis[4-(tert-butyl)phenyl]methanol] is identified by CAS 1883396-49-3, with molecular formula C69H72N2O2, molecular weight 961.3, InChIKey OQFZBKMYSVSZDZ-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
73
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
7
Ring count
10
Aromatic rings
9
Topological polar surface area
56.59 Ų
Computed LogP
16.33
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
(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis[bis[4-(tert-butyl)phenyl]methanol] (CAS 1883396-49-3) is maintained as a commercial cas reference with formula C69H72N2O2, molecular weight 961. 30 g/mol, PubChem CID 102359857.
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.