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Product No: DU5697

(4,4'-Di-t-butyl-2,2'-bipyridine)bis[2-(2-pyridinyl-kN)phenyl-kC]iridium( III) hexafluorophosphate, 99%

Name: (4,4'-Di-t-butyl-2,2'-bipyridine)bis[2-(2-pyridinyl-kN)phenyl-kC]iridium( III) hexafluorophosphate, 99%
Brand: Chempure

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CAS Number

676525-77-2

Molecular Weight

913.95

Formula

C40H40F6IrN4P

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About this item

IUPAC name	4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);2-phenylpyridine;hexafluorophosphate
canonical smiles	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3]
inchi	InChI=1S/C18H24N2.2C11H8N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;21-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;21-6,8-9H;;/q;3*-1;+3
inchi key	VCIVELSSYHAWGC-UHFFFAOYSA-N
molecular formula	C40H40F6IrN4P
synonyms	676525-77-2 [Ir(dtbbpy)(ppy)2][PF6] 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);2-phenylpyridine;hexafluorophosphate iridium(3+) bis(2-(pyridin-2-yl)benzen-1-ide) 4,4'-di-tert-butyl-2,2'-bipyridine hexafluorophosphate C40H40F6IrN4P

Computed Properties

Molecular Weight:	914.0 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	13
Rotatable Bond Count:	5
Exact Mass:	914.25240 g/mol
Monoisotopic Mass:	914.25240 g/mol
Topological Polar Surface Area:	51.6 Å²
Heavy Atom Count:	52
Formal Charge:	0
Complexity:	577
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	5
Compound Is Canonicalized:	Yes

Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine

Pyridoclax

4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine

2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-

1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane

Bisterpy

Bis[3,5-Difluoro-2-[5-(trifluoromethyl)-2-pyridyl]phenyl]iridium(1+); 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; hexafluorophosphate

2,2':4',4'':2'',2'''-Quaterpyridine

[Ir(dtbbpy)(ppy)2][PF6]

Iridium(3+) ion bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide

6,6'-Bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine

2,6-Bis[1,1-di(2-pyridyl)ethyl]-4-(trifluoromethyl)pyridine

2,3-Dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine

[IR{Dfcf3ppy2(bpy)]PF6

4-Tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (50%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);2-phenylpyridine;hexafluorophosphate
canonical smiles	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3]
inchi	InChI=1S/C18H24N2.2C11H8N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;21-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;21-6,8-9H;;/q;3*-1;+3
inchi key	VCIVELSSYHAWGC-UHFFFAOYSA-N
molecular formula	C40H40F6IrN4P
synonyms	676525-77-2 [Ir(dtbbpy)(ppy)2][PF6] 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);2-phenylpyridine;hexafluorophosphate iridium(3+) bis(2-(pyridin-2-yl)benzen-1-ide) 4,4'-di-tert-butyl-2,2'-bipyridine hexafluorophosphate C40H40F6IrN4P

Computed Properties

Molecular Weight:	914.0 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	13
Rotatable Bond Count:	5
Exact Mass:	914.25240 g/mol
Monoisotopic Mass:	914.25240 g/mol
Topological Polar Surface Area:	51.6 Å²
Heavy Atom Count:	52
Formal Charge:	0
Complexity:	577
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	5
Compound Is Canonicalized:	Yes

Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine

Pyridoclax

4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine

2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-

1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane

Bisterpy

Bis[3,5-Difluoro-2-[5-(trifluoromethyl)-2-pyridyl]phenyl]iridium(1+); 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; hexafluorophosphate

2,2':4',4'':2'',2'''-Quaterpyridine

[Ir(dtbbpy)(ppy)2][PF6]

Iridium(3+) ion bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide

6,6'-Bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine

2,6-Bis[1,1-di(2-pyridyl)ethyl]-4-(trifluoromethyl)pyridine

2,3-Dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine

[IR{Dfcf3ppy2(bpy)]PF6

4-Tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (50%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: DU5697

(4,4'-Di-t-butyl-2,2'-bipyridine)bis[2-(2-pyridinyl-kN)phenyl-kC]iridium( III) hexafluorophosphate, 99%

Product No: DU5697

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DU5697

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?