2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine

C39H31FIrN2O-2 — CID 164797534

IUPAC2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1CC(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir]
InChIInChI=1S/C23H13FNO.C16H18N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-12(2)9-15-11-17-16(10-13(15)3)14-7-5-4-6-8-14;/h1-9,11-14H;4-7,10-12H,9H2,1-3H3;/q2*-1;
InChIKeyXQFLXKBVRUUOAL-UHFFFAOYSA-N
MW754.91 g/mol
LogP10.31
Rot. Bonds5

About 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine

2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine (PubChem CID 164797534) has the molecular formula C39H31FIrN2O-2 and a molecular weight of 754.91 g/mol. Its IUPAC name is 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine.

Molecular Properties

Compound Name2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine
PubChem CID164797534
Molecular FormulaC39H31FIrN2O-2
Molecular Weight754.91 g/mol
Exact Mass755.21
IUPAC Name2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1CC(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir]
InChIInChI=1S/C23H13FNO.C16H18N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-12(2)9-15-11-17-16(10-13(15)3)14-7-5-4-6-8-14;/h1-9,11-14H;4-7,10-12H,9H2,1-3H3;/q2*-1;
InChIKeyXQFLXKBVRUUOAL-UHFFFAOYSA-N
XLogP10.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.91
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 164798183
2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;4-methyl-2-phenylpyridine
CID 164798094
2-(2,6-dimethyl-3-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 168827968
iridium;8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-2-[3-phenyl-2,6-di(propan-2-yl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 168827677
2-(2,6-dimethylphenyl)-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610932
iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610911
2-(4-fluorophenyl)-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162776690
[4-[3-fluoro-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832358
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 165386052
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-phenylpyridine;tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 162214402
iridium;6-[4-[methyl-di(propan-2-yl)silyl]-5-(trideuteriomethyl)-2-pyridinyl]-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;2-phenylpyridine
CID 172542755

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine?
The IUPAC name of 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine (CID 164797534) is 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine.
What is the SMILES notation for 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine?
The canonical SMILES for 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine is Cc1cc(-c2[c-]cccc2)ncc1CC(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir].
What is the InChIKey of 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine?
The InChIKey is XQFLXKBVRUUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FNO.C16H18N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-12(2)9-15-11-17-16(10-13(15)3)14-7-5-4-6-8-14;/h1-9,11-14H;4-7,10-12H,9H2,1-3H3;/q2*-1;.
What are the key properties of 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine?
2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine has a molecular weight of 754.91 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 164797534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).