iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium

C17H22IrNP — CID 59782033

IUPACiridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
SMILESCC[P+](CC)(CC)c1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C17H22NP.Ir/c1-4-19(5-2,6-3)16-11-9-10-15(14-16)17-12-7-8-13-18-17;/h7-9,11-14H,4-6H2,1-3H3;
InChIKeyJMXKNOXYAKHNKJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.25
Rot. Bonds5

About iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium

iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium (PubChem CID 59782033) has the molecular formula C17H22IrNP and a molecular weight of 463.56 g/mol. Its IUPAC name is iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium.

Molecular Properties

Compound Nameiridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
PubChem CID59782033
Molecular FormulaC17H22IrNP
Molecular Weight463.56 g/mol
Exact Mass464.11
IUPAC Nameiridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
SMILESCC[P+](CC)(CC)c1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C17H22NP.Ir/c1-4-19(5-2,6-3)16-11-9-10-15(14-16)17-12-7-8-13-18-17;/h7-9,11-14H,4-6H2,1-3H3;
InChIKeyJMXKNOXYAKHNKJ-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512

Frequently Asked Questions

What is the IUPAC name of iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium?
The IUPAC name of iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium (CID 59782033) is iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium.
What is the SMILES notation for iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium?
The canonical SMILES for iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium is CC[P+](CC)(CC)c1cc[c-]c(-c2ccccn2)c1.[Ir].
What is the InChIKey of iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium?
The InChIKey is JMXKNOXYAKHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NP.Ir/c1-4-19(5-2,6-3)16-11-9-10-15(14-16)17-12-7-8-13-18-17;/h7-9,11-14H,4-6H2,1-3H3;.
What are the key properties of iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium?
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium has a molecular weight of 463.56 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium is sourced from PubChem (CID 59782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).