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CAS 1191467-71-6 Iridium(1+), [5,5′-bis(trifluoromethyl)-2,2′-bipyridine-κN1,κN1′]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1) molecular structure lightbox
CAS RN: 1191467-71-6

Iridium(1+), [5,5′-bis(trifluoromethyl)-2,2′-bipyridine-κN1,κN1′]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 100mg In stock Shenzhen Inquiry
Batchno.20260610 1g Out of stock Inquiry
Batchno.20260117 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260315 50mg Out of stock Inquiry
Batchno.20250123 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-019629
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1191467-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1191467-71-6 / bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine;hexafluorophosphate

[5,5'-Bis-trifluoromethyl]bis[(5-fluoro-2-(5-methyl-2-pyridinyl)phenyl]iridium(III) hexafluorophosphate | F76054

Standard CAS: 1191467-71-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1191467-71-6
Multi CAS
Yes
Molecular Formula
C36H24F14IrN4P
Molecular Weight
1001.800000
Exact Mass
1002.114430
SMILES
CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.CC1=CN=C(C=C1)C2=[C-]C=C(C=C2)F.C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
InChI
InChI=1S/C12H6F6N2.2C12H9FN.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-8H,1H3;;/q;3*-1;+3
InChIKey
MLMJLCKFNUCDSY-UHFFFAOYSA-N
Synonyms
[5,5'-Bis-trifluoromethyl]bis[(5-fluoro-2-(5-methyl-2-pyridinyl)phenyl]iridium(III) hexafluorophosphate F76054

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
36
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
177.45
TPSA
51.56

LogP / Solubility

WLOGP
13.55
MLOGP
12.02
XLogP3
13.55
Consensus LogP
13.04
Log S (ESOL)
-14.87
Class (ESOL)
Insoluble
Log S (Ali)
-17.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.78
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)
0.79

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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