iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine

C33H28IrN2O-2 — CID 156686914

IUPACiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
SMILESCc1ccc(-c2[c-]cc(C(C)C)cc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C15H16N.Ir/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;/h2-5,7-11H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyRHIXDBLEFGNBLU-UHFFFAOYSA-N
MW660.82 g/mol
LogP8.73
Rot. Bonds3

About iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine

iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine (PubChem CID 156686914) has the molecular formula C33H28IrN2O-2 and a molecular weight of 660.82 g/mol. Its IUPAC name is iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
PubChem CID156686914
Molecular FormulaC33H28IrN2O-2
Molecular Weight660.82 g/mol
Exact Mass661.18
IUPAC Nameiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
SMILESCc1ccc(-c2[c-]cc(C(C)C)cc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C15H16N.Ir/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;/h2-5,7-11H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyRHIXDBLEFGNBLU-UHFFFAOYSA-N
XLogP8.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 58.73
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

iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686807
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686759
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
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
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 140825794
iridium;2-(2-methyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686801
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
2-(2,8-dimethyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;pentakis(iridium);pentakis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(1-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(2-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 159709710
2-(4-fluorobenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;iridium;6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 169300813
iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
CID 166576060
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

Frequently Asked Questions

What is the IUPAC name of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
The IUPAC name of 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) is iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is Cc1ccc(-c2[c-]cc(C(C)C)cc2)nc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
The InChIKey is RHIXDBLEFGNBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.C15H16N.Ir/c1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;/h2-5,7-11H,1H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine has a molecular weight of 660.82 g/mol, XLogP of 8.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 156686914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).