MedKoo Cat#: 565230 | Name: DTCBPy

Description:

WARNING: This product is for research use only, not for human or veterinary use.

DTCBPy is an efficient thermally activated delayed fluorescence (TADF) molecule.

Chemical Structure

DTCBPy
DTCBPy
CAS#1850369-76-4

Theoretical Analysis

MedKoo Cat#: 565230

Name: DTCBPy

CAS#: 1850369-76-4

Chemical Formula: C52H55N3O

Exact Mass: 737.4345

Molecular Weight: 738.03

Elemental Analysis: C, 84.63; H, 7.51; N, 5.69; O, 2.17

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Synonym
DTCBPy
IUPAC/Chemical Name
(2,5-Bis(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)(pyridin-4-yl)methanone
InChi Key
WTKSSZXLHRLOAP-UHFFFAOYSA-N
InChi Code
InChI=1S/C52H55N3O/c1-49(2,3)33-13-18-43-38(27-33)39-28-34(50(4,5)6)14-19-44(39)54(43)37-17-22-47(42(31-37)48(56)32-23-25-53-26-24-32)55-45-20-15-35(51(7,8)9)29-40(45)41-30-36(52(10,11)12)16-21-46(41)55/h13-31H,1-12H3
SMILES Code
O=C(C1=CC(N2C3=C(C4=C2C=CC(C(C)(C)C)=C4)C=C(C(C)(C)C)C=C3)=CC=C1N5C6=C(C7=C5C=CC(C(C)(C)C)=C7)C=C(C(C)(C)C)C=C6)C8=CC=NC=C8
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Biological target:
DTCBPy is an efficient thermally activated delayed fluorescence (TADF) molecule.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 738.03 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Jin JL, Gao Y, Geng Y. A theoretical investigation on the thermally activated delayed fluorescence characteristics of the isomers of DTCBPy. J Mol Graph Model. 2019 Jan;86:125-131. doi: 10.1016/j.jmgm.2018.10.002. Epub 2018 Oct 6. PubMed PMID: 30359858. 2: Rajamalli P, Senthilkumar N, Gandeepan P, Huang PY, Huang MJ, Ren-Wu CZ, Yang CY, Chiu MJ, Chu LK, Lin HW, Cheng CH. A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes. J Am Chem Soc. 2016 Jan 20;138(2):628-34. doi: 10.1021/jacs.5b10950. Epub 2016 Jan 7. PubMed PMID: 26709617.