2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane

C24H37IrN — CID 143289444

IUPAC2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane
SMILESCCCCC.CCCCc1ccc(-c2ccccn2)c(C(C)CC)c1.[Ir]
InChIInChI=1S/C19H25N.C5H12.Ir/c1-4-6-9-16-11-12-17(18(14-16)15(3)5-2)19-10-7-8-13-20-19;1-3-5-4-2;/h7-8,10-15H,4-6,9H2,1-3H3;3-5H2,1-2H3;
InChIKeyZSCNQNNOANDESK-UHFFFAOYSA-N
MW531.78 g/mol
LogP7.80
Rot. Bonds8

About 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane

2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane (PubChem CID 143289444) has the molecular formula C24H37IrN and a molecular weight of 531.78 g/mol. Its IUPAC name is 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane.

Molecular Properties

Compound Name2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane
PubChem CID143289444
Molecular FormulaC24H37IrN
Molecular Weight531.78 g/mol
Exact Mass532.26
IUPAC Name2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane
SMILESCCCCC.CCCCc1ccc(-c2ccccn2)c(C(C)CC)c1.[Ir]
InChIInChI=1S/C19H25N.C5H12.Ir/c1-4-6-9-16-11-12-17(18(14-16)15(3)5-2)19-10-7-8-13-20-19;1-3-5-4-2;/h7-8,10-15H,4-6,9H2,1-3H3;3-5H2,1-2H3;
InChIKeyZSCNQNNOANDESK-UHFFFAOYSA-N
XLogP7.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.78
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(5-butan-2-yl-2-chlorophenyl)pyridine
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2-(3-butyl-2-methylphenyl)pyridine
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2-(2-propan-2-ylphenyl)pyridine
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2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
2-(2-octylphenyl)pyridine
CID 15643012
2-(2,6-dibutyl-4-chlorophenyl)pyridine
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3-heptan-3-yl-2-pyridin-2-ylpyridine
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2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane?
The IUPAC name of 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane (CID 143289444) is 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane.
What is the SMILES notation for 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane?
The canonical SMILES for 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane is CCCCC.CCCCc1ccc(-c2ccccn2)c(C(C)CC)c1.[Ir].
What is the InChIKey of 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane?
The InChIKey is ZSCNQNNOANDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.C5H12.Ir/c1-4-6-9-16-11-12-17(18(14-16)15(3)5-2)19-10-7-8-13-20-19;1-3-5-4-2;/h7-8,10-15H,4-6,9H2,1-3H3;3-5H2,1-2H3;.
What are the key properties of 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane?
2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane has a molecular weight of 531.78 g/mol, XLogP of 7.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane is sourced from PubChem (CID 143289444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).