iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C23H15F3IrN2-2 — CID 58986653

IUPACiridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H7F3N.C11H8N.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-8H;1-6,8-9H;/q2*-1;
InChIKeyBDBGIWGIFCMBQO-UHFFFAOYSA-N
MW568.60 g/mol
LogP6.11
Rot. Bonds2

About iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 58986653) has the molecular formula C23H15F3IrN2-2 and a molecular weight of 568.60 g/mol. Its IUPAC name is iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID58986653
Molecular FormulaC23H15F3IrN2-2
Molecular Weight568.60 g/mol
Exact Mass569.08
IUPAC Nameiridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H7F3N.C11H8N.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-8H;1-6,8-9H;/q2*-1;
InChIKeyBDBGIWGIFCMBQO-UHFFFAOYSA-N
XLogP6.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.60
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Di(2-pyridyl)ethylene
CID 5374802
1-(2-Pyridyl)-2-(3-pyridyl)-ethylene
CID 5374801
trans-2,4'-Vinylenedipyridine
CID 6303920
2,2'-Ethylenedipyridine
CID 222708
Pyridine, 2,2'-methylenebis-
CID 422964
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
3-Fluoro-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
CID 73356735
Pyrazine, 2,3-dihydro-5,6-di-2-pyridinyl-
CID 90682
Ir(ppy)3
CID 11388194
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171
2,2'-Propane-1,3-diyldipyridine
CID 322131
1,2-Bis(2-pyridyl)ethylene
CID 74032

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 58986653) is iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is BDBGIWGIFCMBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.C11H8N.Ir/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-8H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 568.60 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 58986653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).