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

C65H46Ir2N4O2-4 — CID 163719689

IUPACbis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C18H12NO.2C12H10N.2Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;/h1-12,14-15H;2-5,7-11H,1H3;2*2-5,7-9H,1H3;;/q4*-1;;
InChIKeyCYVVIAKOGIITAD-UHFFFAOYSA-N
MW1299.54 g/mol
LogP16.58
Rot. Bonds5

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

bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 163719689) has the molecular formula C65H46Ir2N4O2-4 and a molecular weight of 1299.54 g/mol. Its IUPAC name is bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Namebis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID163719689
Molecular FormulaC65H46Ir2N4O2-4
Molecular Weight1299.54 g/mol
Exact Mass1300.29
IUPAC Namebis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C18H12NO.2C12H10N.2Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;/h1-12,14-15H;2-5,7-11H,1H3;2*2-5,7-9H,1H3;;/q4*-1;;
InChIKeyCYVVIAKOGIITAD-UHFFFAOYSA-N
XLogP16.58
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.54
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
CID 164797977
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
iridium;2-[6-(2,3,4,5,6-pentadeuteriophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 168730311
iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686914
4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 162710274
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 164797511
iridium;5-methyl-2-phenylpyridine;4-[3-(4-phenylphenyl)phenyl]-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 165386049

Frequently Asked Questions

What is the IUPAC name of bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 163719689) is bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1.
What is the InChIKey of bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is CYVVIAKOGIITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.C18H12NO.2C12H10N.2Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;/h1-12,14-15H;2-5,7-11H,1H3;2*2-5,7-9H,1H3;;/q4*-1;;.
What are the key properties of bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 1299.54 g/mol, XLogP of 16.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 163719689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).