2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)

C98H103F9Ir6N6-6 — CID 157325843

IUPAC2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)
SMILESCCCCc1cc(-c2ccc(C)cn2)[c-]cc1C(F)(F)F.CCCCc1cc(-c2ccc(C)cn2)[c-]cc1F.CCCCc1cc(-c2cccc(C)n2)[c-]cc1F.CCCCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1C.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H17F3N.C17H20N.C16H15F3N.3C16H17FN.6Ir/c1-3-4-5-13-10-14(7-8-15(13)17(18,19)20)16-9-6-12(2)11-21-16;1-4-5-7-15-8-6-9-16(14(15)3)17-11-10-13(2)12-18-17;1-2-3-6-12-11-13(15-7-4-5-10-20-15)8-9-14(12)16(17,18)19;1-3-4-7-13-11-14(9-10-15(13)17)16-8-5-6-12(2)18-16;1-3-4-6-13-7-5-8-14(16(13)17)15-10-9-12(2)11-18-15;1-3-4-5-13-10-14(7-8-15(13)17)16-9-6-12(2)11-18-16;;;;;;/h6,8-11H,3-5H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;4-5,7,9-11H,2-3,6H2,1H3;5-6,8,10-11H,3-4,7H2,1-2H3;5,7,9-11H,3-4,6H2,1-2H3;6,8-11H,3-5H2,1-2H3;;;;;;/q6*-1;;;;;;
InChIKeyFIKVQPCUBUNGCA-UHFFFAOYSA-N
MW2689.23 g/mol
LogP27.64
Rot. Bonds24

About 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)

2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) (PubChem CID 157325843) has the molecular formula C98H103F9Ir6N6-6 and a molecular weight of 2689.23 g/mol. Its IUPAC name is 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium).

Molecular Properties

Compound Name2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)
PubChem CID157325843
Molecular FormulaC98H103F9Ir6N6-6
Molecular Weight2689.23 g/mol
Exact Mass2692.59
IUPAC Name2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)
SMILESCCCCc1cc(-c2ccc(C)cn2)[c-]cc1C(F)(F)F.CCCCc1cc(-c2ccc(C)cn2)[c-]cc1F.CCCCc1cc(-c2cccc(C)n2)[c-]cc1F.CCCCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1C.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H17F3N.C17H20N.C16H15F3N.3C16H17FN.6Ir/c1-3-4-5-13-10-14(7-8-15(13)17(18,19)20)16-9-6-12(2)11-21-16;1-4-5-7-15-8-6-9-16(14(15)3)17-11-10-13(2)12-18-17;1-2-3-6-12-11-13(15-7-4-5-10-20-15)8-9-14(12)16(17,18)19;1-3-4-7-13-11-14(9-10-15(13)17)16-8-5-6-12(2)18-16;1-3-4-6-13-7-5-8-14(16(13)17)15-10-9-12(2)11-18-15;1-3-4-5-13-10-14(7-8-15(13)17)16-9-6-12(2)11-18-16;;;;;;/h6,8-11H,3-5H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;4-5,7,9-11H,2-3,6H2,1H3;5-6,8,10-11H,3-4,7H2,1-2H3;5,7,9-11H,3-4,6H2,1-2H3;6,8-11H,3-5H2,1-2H3;;;;;;/q6*-1;;;;;;
InChIKeyFIKVQPCUBUNGCA-UHFFFAOYSA-N
XLogP27.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002689.23
LogP ≤ 527.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) with MolForge

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Related Compounds

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tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
(2,2-Bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 71534097
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
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Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)?
The IUPAC name of 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) (CID 157325843) is 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium).
What is the SMILES notation for 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)?
The canonical SMILES for 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) is CCCCc1cc(-c2ccc(C)cn2)[c-]cc1C(F)(F)F.CCCCc1cc(-c2ccc(C)cn2)[c-]cc1F.CCCCc1cc(-c2cccc(C)n2)[c-]cc1F.CCCCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1C.CCCCc1cc[c-]c(-c2ccc(C)cn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)?
The InChIKey is FIKVQPCUBUNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N.C17H20N.C16H15F3N.3C16H17FN.6Ir/c1-3-4-5-13-10-14(7-8-15(13)17(18,19)20)16-9-6-12(2)11-21-16;1-4-5-7-15-8-6-9-16(14(15)3)17-11-10-13(2)12-18-17;1-2-3-6-12-11-13(15-7-4-5-10-20-15)8-9-14(12)16(17,18)19;1-3-4-7-13-11-14(9-10-15(13)17)16-8-5-6-12(2)18-16;1-3-4-6-13-7-5-8-14(16(13)17)15-10-9-12(2)11-18-15;1-3-4-5-13-10-14(7-8-15(13)17)16-9-6-12(2)11-18-16;;;;;;/h6,8-11H,3-5H2,1-2H3;6,8,10-12H,4-5,7H2,1-3H3;4-5,7,9-11H,2-3,6H2,1H3;5-6,8,10-11H,3-4,7H2,1-2H3;5,7,9-11H,3-4,6H2,1-2H3;6,8-11H,3-5H2,1-2H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)?
2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) has a molecular weight of 2689.23 g/mol, XLogP of 27.64, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium) is sourced from PubChem (CID 157325843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).