![CAS 1380203-57-5 Ir[dF(t-Bu)-ppy]3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380203-57-5.gif)
CAS RN: 1380203-57-5
Ir[dF(t-Bu)-ppy]3
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-047978
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1380203-57-5 / tris(4-tert-butyl-2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+)
Basic Information
CAS
1380203-57-5
Multi CAS
No
Molecular Formula
C45H42F6IrN3
Molecular Weight
931.000000
Exact Mass
931.291220
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.[Ir+3]
InChI
InChI=1S/3C15H14F2N.Ir/c3*1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17;/h3*4,6-9H,1-3H3;/q3*-1;+3
InChIKey
ZYCGNYVEOFWBLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
36
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
201.37
TPSA
38.67
LogP / Solubility
WLOGP
12.37
MLOGP
10.97
XLogP3
12.37
Consensus LogP
11.9
Log S (ESOL)
-13.69
Class (ESOL)
Insoluble
Log S (Ali)
-16.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.34
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)
0.38
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
Customers Also Viewed
-
![CAS 1380238-73-2 Stannane, [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithien-2-yl]trimethyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Stannane, [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithien-2-yl]trimethyl-
- CAS RN: 1380238-73-2
- Product Code: SSC-047983
-
-
(2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol
- CAS RN: 1380288-87-8
- Product Code: SSC-047990
-
Ethyl 3-(3-oxocyclobutyl)propanoate
- CAS RN: 1380290-31-2
- Product Code: starshine_CAS1380290-31-2
- Purity/Analytical method: >99.0%
-
-
Cyclobutanepropanoic acid, 3-oxo-, phenylmethyl ester
- CAS RN: 1380291-49-5
- Product Code: SSC-047992
![CAS 1380238-73-2 Stannane, [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithien-2-yl]trimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380238-73-2.gif)
![CAS 1380245-88-4 2-Bromo-1H-imidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380245-88-4.gif)
![CAS 1380288-87-8 (2R,3R,4S,5R)-2-(6-aMino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]iMidazol-2-yl)ethyl)cyclobutyl)(isopropyl)aMino)Methyl)tetrahydrofuran-3,4-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380288-87-8.gif)
