bis(2-(2,4-difluorophenyl)quinoline);iridium

C30H18F4IrN2 — CID 175385280

IUPACbis(2-(2,4-difluorophenyl)quinoline);iridium
SMILESFc1ccc(-c2ccc3ccccc3n2)c(F)c1.Fc1ccc(-c2ccc3ccccc3n2)c(F)c1.[Ir]
InChIInChI=1S/2C15H9F2N.Ir/c2*16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;/h2*1-9H;
InChIKeyOQXIGZOUPJYMLQ-UHFFFAOYSA-N
MW674.70 g/mol
LogP8.36
Rot. Bonds2

About bis(2-(2,4-difluorophenyl)quinoline);iridium

bis(2-(2,4-difluorophenyl)quinoline);iridium (PubChem CID 175385280) has the molecular formula C30H18F4IrN2 and a molecular weight of 674.70 g/mol. Its IUPAC name is bis(2-(2,4-difluorophenyl)quinoline);iridium.

Molecular Properties

Compound Namebis(2-(2,4-difluorophenyl)quinoline);iridium
PubChem CID175385280
Molecular FormulaC30H18F4IrN2
Molecular Weight674.70 g/mol
Exact Mass675.10
IUPAC Namebis(2-(2,4-difluorophenyl)quinoline);iridium
SMILESFc1ccc(-c2ccc3ccccc3n2)c(F)c1.Fc1ccc(-c2ccc3ccccc3n2)c(F)c1.[Ir]
InChIInChI=1S/2C15H9F2N.Ir/c2*16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;/h2*1-9H;
InChIKeyOQXIGZOUPJYMLQ-UHFFFAOYSA-N
XLogP8.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.70
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-(2,4-difluorophenyl)quinoline);iridium;pyridine-2-carboxylic acid
CID 175117825
2-(4-fluoro-2-iodophenyl)quinoline
CID 163529104
2-(2-fluorophenyl)quinoline
CID 11622684
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461
2-(2,4-difluorophenyl)naphthalene
CID 57155988
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
1-(2,5-difluorophenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222517
iridium;tris(2-phenylquinoline)
CID 122129463
5-methyl-2-quinolin-2-ylaniline
CID 116644996
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorophenyl)quinoline);iridium?
The IUPAC name of bis(2-(2,4-difluorophenyl)quinoline);iridium (CID 175385280) is bis(2-(2,4-difluorophenyl)quinoline);iridium.
What is the SMILES notation for bis(2-(2,4-difluorophenyl)quinoline);iridium?
The canonical SMILES for bis(2-(2,4-difluorophenyl)quinoline);iridium is Fc1ccc(-c2ccc3ccccc3n2)c(F)c1.Fc1ccc(-c2ccc3ccccc3n2)c(F)c1.[Ir].
What is the InChIKey of bis(2-(2,4-difluorophenyl)quinoline);iridium?
The InChIKey is OQXIGZOUPJYMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9F2N.Ir/c2*16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;/h2*1-9H;.
What are the key properties of bis(2-(2,4-difluorophenyl)quinoline);iridium?
bis(2-(2,4-difluorophenyl)quinoline);iridium has a molecular weight of 674.70 g/mol, XLogP of 8.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorophenyl)quinoline);iridium is sourced from PubChem (CID 175385280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).