![CAS 435293-93-9 Tris[1-phenylisoquinoline-C2,N]iridium(III) (purified by sublimation) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2685-jpgcontextbwfzdgvyfhjvb3r8ndk5ndn8aw1hz2uvanblz3xomjevadu2lzg5mzi2mzg1mjm0mjivvdi2oduuanbnfgnlzgnmmdizmdrlnmi1ndvjzweyyjgxyjyyotyzyti4ywy1nzhimdu0zjrizmi1zwnmmzqyzmzlntdhmmnjmmy.jpeg)
CAS RN: 435293-93-9
Tris[1-phenylisoquinoline-C2,N]iridium(III) (purified by sublimation)
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251002 | 100mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTT2685
- Purity/Analytical Methods: >99.0%(HPLC)
435293-93-9 / iridium(3+);tris(1-phenylisoquinoline)
Basic Information
CAS
435293-93-9
Multi CAS
Yes
Molecular Formula
C45H30IRn3
Molecular Weight
805.000000
Exact Mass
805.206900
InChI
InChI=1S/3C15H10N.Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h3*1-7,9-11H;/q3*-1;+3
InChIKey
NDBCGHNTWCYIIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
48
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
198.04
TPSA
38.67
LogP / Solubility
WLOGP
11.1
MLOGP
9.84
XLogP3
11.1
Consensus LogP
10.68
Log S (ESOL)
-12.35
Class (ESOL)
Insoluble
Log S (Ali)
-14.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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