tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium

C51H36F3IrN3 — CID 158235449

IUPACtris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
SMILESFc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/3C17H12FN.Ir/c3*18-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-19-17;/h3*1-12H;
InChIKeyGEXDYSAXIHNGRM-UHFFFAOYSA-N
MW940.08 g/mol
LogP13.66
Rot. Bonds6

About tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium

tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium (PubChem CID 158235449) has the molecular formula C51H36F3IrN3 and a molecular weight of 940.08 g/mol. Its IUPAC name is tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium.

Molecular Properties

Compound Nametris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
PubChem CID158235449
Molecular FormulaC51H36F3IrN3
Molecular Weight940.08 g/mol
Exact Mass940.25
IUPAC Nametris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
SMILESFc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/3C17H12FN.Ir/c3*18-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-19-17;/h3*1-12H;
InChIKeyGEXDYSAXIHNGRM-UHFFFAOYSA-N
XLogP13.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.08
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
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2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
4-(3-pyridin-2-ylphenyl)pyrimidine
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2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
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1-(3-fluorophenyl)-3,5-diphenylbenzene
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CID 88529992
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Frequently Asked Questions

What is the IUPAC name of tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium?
The IUPAC name of tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium (CID 158235449) is tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium.
What is the SMILES notation for tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium?
The canonical SMILES for tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium is Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.Fc1cccc(-c2cccc(-c3ccccn3)c2)c1.[Ir].
What is the InChIKey of tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium?
The InChIKey is GEXDYSAXIHNGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12FN.Ir/c3*18-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-19-17;/h3*1-12H;.
What are the key properties of tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium?
tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium has a molecular weight of 940.08 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium is sourced from PubChem (CID 158235449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).