Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: N-(carbazol-9-ylmethylidene)-N'-[3-[diphenyl-(3-phenylphenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide
CAS No.: 9054-63-1
Molecular formula: C57H41N5SI
Molecular weight: 824.1 g/mol
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC(=C5)C(=N)N=C(N=CN6C7=CC=CC=C7C8=CC=CC=C86)N9C1=CC=CC=C1C1=CC=CC=C19
Structural class:
Other identifiers:

-

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 25U BR,100u/mg protein,硫酸铵悬液 1920 2-8℃ in stock -
Kehua Intelligence 50U BR,100u/mg protein,硫酸铵悬液 3760 2-8℃ in stock -
Kehua Intelligence 25u 来源:Porcine Kidney Microsomes;20u/mg protein,冻干粉 768 -20℃ in stock -
Kehua Intelligence 100u 来源:Porcine Kidney Microsomes;20u/mg protein,冻干粉 2240 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(carbazol-9-ylmethylidene)-N'-[3-[diphenyl-(3-phenylphenyl)silyl]benzenecarboximidoyl]carbazole-9-carboximidamide


4.2 InChI

InChI=1S/C57H41N5Si/c58-56(43-23-19-29-47(39-43)63(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-22-42(38-46)41-20-4-1-5-21-41)60-57(62-54-36-16-12-32-50(54)51-33-13-17-37-55(51)62)59-40-61-52-34-14-10-30-48(52)49-31-11-15-35-53(49)61/h1-40,58H


4.3 InChIKey

QMSBRINVTZNTSW-UHFFFAOYSA-N


4.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC(=C5)C(=N)N=C(N=CN6C7=CC=CC=C7C8=CC=CC=C86)N9C1=CC=CC=C1C1=CC=CC=C19


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --