![CAS 1580547-45-0 (2,2′-bipyridyl) bis [2- (4-fluorophenyl) pyridine] iridium (III) hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1580547-45-0.gif)
CAS RN: 1580547-45-0
(2,2′-bipyridyl) bis [2- (4-fluorophenyl) pyridine] iridium (III) hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-066668
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1580547-45-0 / bis(2-(4-fluorophenyl)pyridine);iridium(3+);2-pyridin-2-ylpyridine;trihexafluorophosphate
Basic Information
CAS
1580547-45-0
Multi CAS
No
Molecular Formula
C32H24F20IrN4P3
Molecular Weight
1129.700000
Exact Mass
1130.052370
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)F.C1=CC=NC(=C1)C2=CC=C(C=C2)F.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
InChI
InChI=1S/2C11H8FN.C10H8N2.3F6P.Ir/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-7(2,3,4,5)6;/h2*1-8H;1-8H;;;;/q;;;3*-1;+3
InChIKey
MUMNJEIZKGYRPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
187.43
TPSA
51.56
LogP / Solubility
WLOGP
18.06
MLOGP
16.01
XLogP3
18.06
Consensus LogP
17.38
Log S (ESOL)
-18.47
Class (ESOL)
Insoluble
Log S (Ali)
-21.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.36
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)
3.21
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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