iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine

C29H22IrN2-2 — CID 58435113

IUPACiridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
SMILESCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.C11H8N.Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;
InChIKeyVPEUKEFHZFSERV-UHFFFAOYSA-N
MW590.73 g/mol
LogP7.07
Rot. Bonds3

About iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine

iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine (PubChem CID 58435113) has the molecular formula C29H22IrN2-2 and a molecular weight of 590.73 g/mol. Its IUPAC name is iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
PubChem CID58435113
Molecular FormulaC29H22IrN2-2
Molecular Weight590.73 g/mol
Exact Mass591.14
IUPAC Nameiridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
SMILESCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.C11H8N.Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;
InChIKeyVPEUKEFHZFSERV-UHFFFAOYSA-N
XLogP7.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine?
The IUPAC name of iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine (CID 58435113) is iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine.
What is the SMILES notation for iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine?
The canonical SMILES for iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine is Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine?
The InChIKey is VPEUKEFHZFSERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.C11H8N.Ir/c1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-13H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine?
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine has a molecular weight of 590.73 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 58435113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).