Research chemical
CAS Number: 2599837-57-5
![12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde molecular structure, CAS 2599837-57-5](/structure-images/2599837-57-5.png?v=struct-v3)
Product details
PubChem CID
168446350
Exact Mass
1362.879735
InChIKey
DACYCKBNHBWGRY-UHFFFAOYSA-N
IUPAC Name
3,27-bis(2-octyldodecyl)-8,22-di(undecyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaene-7,23-dicarbaldehyde
SMILES String
CCCCCCCCCCCc1c(C=O)sc2c1sc1c3c4nsnc4c4c5sc6c(CCCCCCCCCCC)c(C=O)sc6c5n(CC(CCCCCCCC)CCCCCCCCCC)c4c3n(CC(CCCCCCCC)CCCCCCCCCC)c21
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde is identified by CAS 2599837-57-5, with molecular formula C82H130N4O2S5, molecular weight 1364.3, InChIKey DACYCKBNHBWGRY-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
93
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
58
Ring count
8
Aromatic rings
8
Topological polar surface area
69.78 Ų
Computed LogP
30.03
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
30 g/mol, PubChem CID 168446350.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.