Research chemical
CAS Number: 1435933-95-1
![2,5-Dioctyl-3,6-bis-(5''-N-hexyl-[2,2',5',2'']terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione molecular structure, CAS 1435933-95-1](/structure-images/1435933-95-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
99652859
Exact Mass
1020.391807
InChIKey
CAOPCPKFKCIXFB-UHFFFAOYSA-N
IUPAC Name
1,4-bis[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,5-dioctylpyrrolo[3,4-c]pyrrole-3,6-dione
SMILES String
CCCCCCCCN1C(=O)C2=C(c3ccc(-c4ccc(-c5ccc(CCCCCC)s5)s4)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(-c3ccc(CCCCCC)s3)s2)s1
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.
2,5-Dioctyl-3,6-bis-(5''-N-hexyl-[2,2',5',2'']terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione is identified by CAS 1435933-95-1, with molecular formula C58H72N2O2S6, molecular weight 1021.6, InChIKey CAOPCPKFKCIXFB-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
68
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
30
Ring count
8
Aromatic rings
6
Topological polar surface area
40.62 Ų
Computed LogP
19.5
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
2,5-Dioctyl-3,6-bis-(5''-N-hexyl-[2,2',5',2'']terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione (CAS 1435933-95-1) is maintained as a commercial cas reference with formula C58H72N2O2S6, molecular weight 1021. 60 g/mol, PubChem CID 99652859.
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.