(Ir[4-t-Bu-Phenyl-4-t-Bu-Py]2(dtbpy))PF6

Catalog Number

ACM808142805-2

CAS

808142-80-5

Synonyms

(Ir[4-t-Bu-Phenyl-4-t-Bu-Py]2(dtbpy))PF6

IUPAC Name

4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);hexafluorophosphate

Molecular Weight

1138.4

Molecular Formula

C56H72F6IrN4P

Canonical SMILES

CC(C)(C)C1=C[C-]=C(C=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=C[C-]=C(C=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F.[Ir+3]

InChI

InChI=1S/2C19H24N.C18H24N2.F6P.Ir/c2*1-18(2,3)15-9-7-14(8-10-15)17-13-16(11-12-20-17)19(4,5)6;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2,3,4,5)6;/h2*7,9-13H,1-6H3;7-12H,1-6H3;;/q2*-1;;-1;+3

InChI Key

GGYZHJGJZOVCKC-UHFFFAOYSA-N

Purity

95%

Appearance

Yellow powder

Storage

Inert atmosphere,2 - 8 °C

• Catalog Number: ACM808142805-2
• CAS: 808142-80-5
• Synonyms: (Ir[4-t-Bu-Phenyl-4-t-Bu-Py]2(dtbpy))PF6
• IUPAC Name: 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);hexafluorophosphate
• Molecular Weight: 1138.4
• Molecular Formula: C56H72F6IrN4P
• Canonical SMILES: CC(C)(C)C1=C[C-]=C(C=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=C[C-]=C(C=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F.[Ir+3]
• InChI: InChI=1S/2C19H24N.C18H24N2.F6P.Ir/c2*1-18(2,3)15-9-7-14(8-10-15)17-13-16(11-12-20-17)19(4,5)6;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2,3,4,5)6;/h2*7,9-13H,1-6H3;7-12H,1-6H3;;/q2*-1;;-1;+3
• InChI Key: GGYZHJGJZOVCKC-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Yellow powder
• Storage: Inert atmosphere,2 - 8 °C