iridium;2,2,5,5-tetramethyl-6-phenylpyridine

C15H18IrN- — CID 58983183

IUPACiridium;2,2,5,5-tetramethyl-6-phenylpyridine
SMILESCC1(C)C=CC(C)(C)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C15H18N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyZJNBISAWRDJWGV-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.65
Rot. Bonds1

About iridium;2,2,5,5-tetramethyl-6-phenylpyridine

iridium;2,2,5,5-tetramethyl-6-phenylpyridine (PubChem CID 58983183) has the molecular formula C15H18IrN- and a molecular weight of 404.53 g/mol. Its IUPAC name is iridium;2,2,5,5-tetramethyl-6-phenylpyridine.

Molecular Properties

Compound Nameiridium;2,2,5,5-tetramethyl-6-phenylpyridine
PubChem CID58983183
Molecular FormulaC15H18IrN-
Molecular Weight404.53 g/mol
Exact Mass405.11
IUPAC Nameiridium;2,2,5,5-tetramethyl-6-phenylpyridine
SMILESCC1(C)C=CC(C)(C)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C15H18N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyZJNBISAWRDJWGV-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iridium;2,2,5,5-tetramethyl-6-phenylpyridine?
The IUPAC name of iridium;2,2,5,5-tetramethyl-6-phenylpyridine (CID 58983183) is iridium;2,2,5,5-tetramethyl-6-phenylpyridine.
What is the SMILES notation for iridium;2,2,5,5-tetramethyl-6-phenylpyridine?
The canonical SMILES for iridium;2,2,5,5-tetramethyl-6-phenylpyridine is CC1(C)C=CC(C)(C)C(c2[c-]cccc2)=N1.[Ir].
What is the InChIKey of iridium;2,2,5,5-tetramethyl-6-phenylpyridine?
The InChIKey is ZJNBISAWRDJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N.Ir/c1-14(2)10-11-15(3,4)16-13(14)12-8-6-5-7-9-12;/h5-8,10-11H,1-4H3;/q-1;.
What are the key properties of iridium;2,2,5,5-tetramethyl-6-phenylpyridine?
iridium;2,2,5,5-tetramethyl-6-phenylpyridine has a molecular weight of 404.53 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2,2,5,5-tetramethyl-6-phenylpyridine is sourced from PubChem (CID 58983183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).