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

C30H22IrN2O-2 — CID 156686689

IUPACiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1cc[c-]c(-c2ccccn2)c1.Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C12H10N.Ir/c1-12-6-4-7-13-14-8-5-9-15(18(14)20-17(12)13)16-10-2-3-11-19-16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2-8,10-11H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyARSKQHRXHVJNCB-UHFFFAOYSA-N
MW618.74 g/mol
LogP7.61
Rot. Bonds2

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

iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 156686689) has the molecular formula C30H22IrN2O-2 and a molecular weight of 618.74 g/mol. Its IUPAC name is iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID156686689
Molecular FormulaC30H22IrN2O-2
Molecular Weight618.74 g/mol
Exact Mass619.14
IUPAC Nameiridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCc1cc[c-]c(-c2ccccn2)c1.Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C18H12NO.C12H10N.Ir/c1-12-6-4-7-13-14-8-5-9-15(18(14)20-17(12)13)16-10-2-3-11-19-16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2-8,10-11H,1H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyARSKQHRXHVJNCB-UHFFFAOYSA-N
XLogP7.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 57.61
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

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
2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464747
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158812599
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)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
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;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686775
2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 165386052
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-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 156686689) is iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine is Cc1cc[c-]c(-c2ccccn2)c1.Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is ARSKQHRXHVJNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.C12H10N.Ir/c1-12-6-4-7-13-14-8-5-9-15(18(14)20-17(12)13)16-10-2-3-11-19-16;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;/h2-8,10-11H,1H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine?
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 618.74 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 156686689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).