2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine

C28H19FIrN2-2 — CID 168822046

IUPAC2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine
SMILESFc1ccc[c-]c1-c1ncccc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11FN.C11H8N.Ir/c18-16-11-5-4-9-15(16)17-14(10-6-12-19-17)13-7-2-1-3-8-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-12H;1-6,8-9H;/q2*-1;
InChIKeyMJCKPMGNVLWGQP-UHFFFAOYSA-N
MW594.69 g/mol
LogP6.90
Rot. Bonds3

About 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine

2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine (PubChem CID 168822046) has the molecular formula C28H19FIrN2-2 and a molecular weight of 594.69 g/mol. Its IUPAC name is 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine
PubChem CID168822046
Molecular FormulaC28H19FIrN2-2
Molecular Weight594.69 g/mol
Exact Mass595.12
IUPAC Name2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine
SMILESFc1ccc[c-]c1-c1ncccc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11FN.C11H8N.Ir/c18-16-11-5-4-9-15(16)17-14(10-6-12-19-17)13-7-2-1-3-8-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-12H;1-6,8-9H;/q2*-1;
InChIKeyMJCKPMGNVLWGQP-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.69
LogP ≤ 56.90
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

iridium;tris(2-phenylpyridine)
CID 23386734
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
2-(2,5-difluorobenzene-6-id-1-yl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 168823015
CID 164734122
CID 164734122
iridium;2-phenylpyridine;4-phenyl-2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 168821993
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;2-methyl-3-phenyl-6-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 166495302
iridium;5-methyl-4-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168821808
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylpyridine;iridium;2-phenylpyridine
CID 168821524
iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168822016

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine (CID 168822046) is 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine is Fc1ccc[c-]c1-c1ncccc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine?
The InChIKey is MJCKPMGNVLWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN.C11H8N.Ir/c18-16-11-5-4-9-15(16)17-14(10-6-12-19-17)13-7-2-1-3-8-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8,10-12H;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine?
2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine has a molecular weight of 594.69 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 168822046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).