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

C32H26IrN2O-2 — CID 156686807

IUPACiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
SMILESCC(C)c1c[c-]c(-c2ccccn2)cc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C14H14N.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)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h2-5,7-11H,1H3;3-8,10-11H,1-2H3;/q2*-1;
InChIKeySCBUWMIJNDGHAM-UHFFFAOYSA-N
MW646.79 g/mol
LogP8.43
Rot. Bonds3

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

iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine (PubChem CID 156686807) has the molecular formula C32H26IrN2O-2 and a molecular weight of 646.79 g/mol. Its IUPAC name is iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
PubChem CID156686807
Molecular FormulaC32H26IrN2O-2
Molecular Weight646.79 g/mol
Exact Mass647.17
IUPAC Nameiridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
SMILESCC(C)c1c[c-]c(-c2ccccn2)cc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C14H14N.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)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h2-5,7-11H,1H3;3-8,10-11H,1-2H3;/q2*-1;
InChIKeySCBUWMIJNDGHAM-UHFFFAOYSA-N
XLogP8.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 58.43
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;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686914
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)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
iridium;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686775
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)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
4-benzyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162707680
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;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
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
8-[5-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 154590223
iridium;4-propan-2-yl-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166576767

Frequently Asked Questions

What is the IUPAC name of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;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;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine (CID 156686807) is iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;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;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;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is CC(C)c1c[c-]c(-c2ccccn2)cc1.Cc1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
The InChIKey is SCBUWMIJNDGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.C14H14N.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)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h2-5,7-11H,1H3;3-8,10-11H,1-2H3;/q2*-1;.
What are the key properties of iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?
iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine has a molecular weight of 646.79 g/mol, XLogP of 8.43, 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;2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 156686807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).