Research chemical
CAS Number: 1614253-96-1
![4,9-Dibromo-2,7-bis(2-butyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure, CAS 1614253-96-1](/structure-images/1614253-96-1.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
122396909
Exact Mass
760.22733
InChIKey
NGMRSRDSJKPEIM-UHFFFAOYSA-N
IUPAC Name
2,9-dibromo-6,13-bis(2-butyloctyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILES String
CCCCCCC(CCCC)CN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CC(CCCC)CCCCCC)C3=O
No physical property values available.
XLogP
13.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
20
Ring count
4
Aromatic rings
2
Topological polar surface area
74.76 Ų
Computed LogP
11.11
Structural features
4,9-Dibromo-2,7-bis(2-butyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone (CAS 1614253-96-1) is listed in the Advanced Chemicals portfolio, with molecular formula C38H52Br2N2O4 and molecular weight 760. 60 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
4,9-Dibromo-2,7-bis(2-butyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.