2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium

C17H10F2IrN- — CID 58658159

IUPAC2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
SMILESFc1cc(F)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/C17H10F2N.Ir/c18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h1-4,6-11H;/q-1;
InChIKeyMZHJDJXGASGDIG-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.49
Rot. Bonds2

About 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium

2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium (PubChem CID 58658159) has the molecular formula C17H10F2IrN- and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
PubChem CID58658159
Molecular FormulaC17H10F2IrN-
Molecular Weight458.49 g/mol
Exact Mass459.04
IUPAC Name2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
SMILESFc1cc(F)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/C17H10F2N.Ir/c18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h1-4,6-11H;/q-1;
InChIKeyMZHJDJXGASGDIG-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
CID 58401094
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 159380882
2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140720975
iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 164791666
4-[3-(4-formylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]benzaldehyde;iridium(3+);bis(2-phenylpyridine)
CID 59800879
iridium;tris(2-phenylpyridine)
CID 23386734
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium?
The IUPAC name of 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium (CID 58658159) is 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium is Fc1cc(F)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].
What is the InChIKey of 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium?
The InChIKey is MZHJDJXGASGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N.Ir/c18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h1-4,6-11H;/q-1;.
What are the key properties of 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium?
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium has a molecular weight of 458.49 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium is sourced from PubChem (CID 58658159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).