CAS RN: 94928-86-6
Tris(2-phenylpyridinato)iridium(III)
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
- Product code: SSC-210126
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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94928-86-6 / iridium(3+);tris(2-phenylpyridine)
Basic Information
CAS
94928-86-6
Multi CAS
Yes
Molecular Formula
C33H24IRn3
Molecular Weight
654.800000
Exact Mass
655.159950
InChI
InChI=1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/q3*-1;+3
InChIKey
NSABRUJKERBGOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
145.53
TPSA
38.67
LogP / Solubility
WLOGP
7.64
MLOGP
6.78
XLogP3
7.64
Consensus LogP
7.35
Log S (ESOL)
-9.24
Class (ESOL)
Insoluble
Log S (Ali)
-10.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.62
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)
-1.29
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
5.5
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