iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine

C26H18IrN4-2 — CID 58421120

IUPACiridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
SMILES[Ir].[c-]1ccccc1-c1ccc(-c2cncnc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H10N3.C11H8N.Ir/c1-2-4-12(5-3-1)15-7-6-13(10-18-15)14-8-16-11-17-9-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-11H;1-6,8-9H;/q2*-1;
InChIKeyAJUWAUXACWZCBS-UHFFFAOYSA-N
MW578.68 g/mol
LogP5.55
Rot. Bonds3

About iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine

iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine (PubChem CID 58421120) has the molecular formula C26H18IrN4-2 and a molecular weight of 578.68 g/mol. Its IUPAC name is iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
PubChem CID58421120
Molecular FormulaC26H18IrN4-2
Molecular Weight578.68 g/mol
Exact Mass579.12
IUPAC Nameiridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
SMILES[Ir].[c-]1ccccc1-c1ccc(-c2cncnc2)cn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H10N3.C11H8N.Ir/c1-2-4-12(5-3-1)15-7-6-13(10-18-15)14-8-16-11-17-9-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-11H;1-6,8-9H;/q2*-1;
InChIKeyAJUWAUXACWZCBS-UHFFFAOYSA-N
XLogP5.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;tris(2-phenylpyridine)
CID 23386734
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;5-phenyl-2-phenylpyridine
CID 168823172
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156326
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
CID 23526288

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine?
The IUPAC name of iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine (CID 58421120) is iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine?
The canonical SMILES for iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine is [Ir].[c-]1ccccc1-c1ccc(-c2cncnc2)cn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine?
The InChIKey is AJUWAUXACWZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N3.C11H8N.Ir/c1-2-4-12(5-3-1)15-7-6-13(10-18-15)14-8-16-11-17-9-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-11H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine?
iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine has a molecular weight of 578.68 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 58421120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).