2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)

C81H83F9Ir5N5-5 — CID 158877830

IUPAC2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)
SMILESCCCCCCc1c[c-]c(-c2ccccn2)cc1C.CCCCc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.CCCCc1cc(F)[c-]c(-c2ccc(C)cn2)c1.CCCCc1cc(F)[c-]c(-c2ccccn2)c1.CCCc1cc(-c2ccc(F)c(C)n2)[c-]cc1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H22N.C16H14F4N.C16H15F3N.C16H17FN.C15H15FN.5Ir/c1-3-4-5-6-9-16-11-12-17(14-15(16)2)18-10-7-8-13-19-18;1-3-4-11-9-12(5-6-13(11)16(18,19)20)15-8-7-14(17)10(2)21-15;1-2-3-6-12-9-13(15-7-4-5-8-20-15)11-14(10-12)16(17,18)19;1-3-4-5-13-8-14(10-15(17)9-13)16-7-6-12(2)11-18-16;1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-17-15;;;;;/h7-8,10-11,13-14H,3-6,9H2,1-2H3;6-9H,3-4H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;6-9,11H,3-5H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;;;;;/q5*-1;;;;;
InChIKeyHRHIYRNITGDWHX-UHFFFAOYSA-N
MW2258.66 g/mol
LogP23.21
Rot. Bonds21

About 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)

2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium) (PubChem CID 158877830) has the molecular formula C81H83F9Ir5N5-5 and a molecular weight of 2258.66 g/mol. Its IUPAC name is 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium).

Molecular Properties

Compound Name2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)
PubChem CID158877830
Molecular FormulaC81H83F9Ir5N5-5
Molecular Weight2258.66 g/mol
Exact Mass2261.47
IUPAC Name2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)
SMILESCCCCCCc1c[c-]c(-c2ccccn2)cc1C.CCCCc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.CCCCc1cc(F)[c-]c(-c2ccc(C)cn2)c1.CCCCc1cc(F)[c-]c(-c2ccccn2)c1.CCCc1cc(-c2ccc(F)c(C)n2)[c-]cc1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H22N.C16H14F4N.C16H15F3N.C16H17FN.C15H15FN.5Ir/c1-3-4-5-6-9-16-11-12-17(14-15(16)2)18-10-7-8-13-19-18;1-3-4-11-9-12(5-6-13(11)16(18,19)20)15-8-7-14(17)10(2)21-15;1-2-3-6-12-9-13(15-7-4-5-8-20-15)11-14(10-12)16(17,18)19;1-3-4-5-13-8-14(10-15(17)9-13)16-7-6-12(2)11-18-16;1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-17-15;;;;;/h7-8,10-11,13-14H,3-6,9H2,1-2H3;6-9H,3-4H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;6-9,11H,3-5H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;;;;;/q5*-1;;;;;
InChIKeyHRHIYRNITGDWHX-UHFFFAOYSA-N
XLogP23.21
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002258.66
LogP ≤ 523.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)?
The IUPAC name of 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium) (CID 158877830) is 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium).
What is the SMILES notation for 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)?
The canonical SMILES for 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium) is CCCCCCc1c[c-]c(-c2ccccn2)cc1C.CCCCc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.CCCCc1cc(F)[c-]c(-c2ccc(C)cn2)c1.CCCCc1cc(F)[c-]c(-c2ccccn2)c1.CCCc1cc(-c2ccc(F)c(C)n2)[c-]cc1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)?
The InChIKey is HRHIYRNITGDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N.C16H14F4N.C16H15F3N.C16H17FN.C15H15FN.5Ir/c1-3-4-5-6-9-16-11-12-17(14-15(16)2)18-10-7-8-13-19-18;1-3-4-11-9-12(5-6-13(11)16(18,19)20)15-8-7-14(17)10(2)21-15;1-2-3-6-12-9-13(15-7-4-5-8-20-15)11-14(10-12)16(17,18)19;1-3-4-5-13-8-14(10-15(17)9-13)16-7-6-12(2)11-18-16;1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-17-15;;;;;/h7-8,10-11,13-14H,3-6,9H2,1-2H3;6-9H,3-4H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;6-9,11H,3-5H2,1-2H3;4-5,7-10H,2-3,6H2,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium)?
2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium) has a molecular weight of 2258.66 g/mol, XLogP of 23.21, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-5-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-5-fluorobenzene-6-id-1-yl)pyridine;2-[3-butyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-fluoro-2-methyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-hexyl-3-methylbenzene-6-id-1-yl)pyridine;pentakis(iridium) is sourced from PubChem (CID 158877830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).