2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium

C18H12IrNO- — CID 58183919

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir]
InChIInChI=1S/C18H12NO.Ir/c1-12-6-8-16(19-11-12)13-7-9-18-15(10-13)14-4-2-3-5-17(14)20-18;/h2-6,8-11H,1H3;/q-1;
InChIKeyNVICHOZEYNWVQY-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.75
Rot. Bonds1

About 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium

2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium (PubChem CID 58183919) has the molecular formula C18H12IrNO- and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
PubChem CID58183919
Molecular FormulaC18H12IrNO-
Molecular Weight450.52 g/mol
Exact Mass451.06
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir]
InChIInChI=1S/C18H12NO.Ir/c1-12-6-8-16(19-11-12)13-7-9-18-15(10-13)14-4-2-3-5-17(14)20-18;/h2-6,8-11H,1H3;/q-1;
InChIKeyNVICHOZEYNWVQY-UHFFFAOYSA-N
XLogP4.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine
CID 155619309
[4-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-5-id-1-yl]-trimethylsilane;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 155619313
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506670
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium
CID 161124870
CID 168766330
CID 168766330
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
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
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium
CID 58239769
CID 164803154
CID 164803154
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 162709035
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506804

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium (CID 58183919) is 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium is Cc1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium?
The InChIKey is NVICHOZEYNWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12NO.Ir/c1-12-6-8-16(19-11-12)13-7-9-18-15(10-13)14-4-2-3-5-17(14)20-18;/h2-6,8-11H,1H3;/q-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium?
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium has a molecular weight of 450.52 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium is sourced from PubChem (CID 58183919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).