2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium

C36H26IrN2O-2 — CID 59500174

IUPAC2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium
SMILESCCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C19H16N.C17H10NO.Ir/c1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h3-11,13-14H,2H2,1H3;1-7,9-11H;/q2*-1;
InChIKeyRPHAMOWQHSAXKG-UHFFFAOYSA-N
MW694.83 g/mol
LogP9.22
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium

2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium (PubChem CID 59500174) has the molecular formula C36H26IrN2O-2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium
PubChem CID59500174
Molecular FormulaC36H26IrN2O-2
Molecular Weight694.83 g/mol
Exact Mass695.17
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium
SMILESCCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C19H16N.C17H10NO.Ir/c1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h3-11,13-14H,2H2,1H3;1-7,9-11H;/q2*-1;
InChIKeyRPHAMOWQHSAXKG-UHFFFAOYSA-N
XLogP9.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 59.22
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

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
4-(2-Benzofuranyl)pyridine
CID 65590
3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 46837513
4-(1-Benzofuran-2-yl)-1-[(2-methylphenyl)methyl]pyridin-1-ium bromide
CID 118730705
4-(1-Benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-1-ium bromide
CID 118730817
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 127028963
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
CID 134142008
2-[2-(1-Benzofuran-2-yl)ethyl]-3-methyl-4-(2-methylpropoxy)pyridine
CID 11045086
(2Z)-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 44554236
3-Benzo[b]furan-2-yl-5-(2-methoxyphenyl)-4,5-dihydro-1H-1-pyrazolyl-4-pyridylmethanone
CID 46934072
1'-[(2-Phenylfuro[3,2-c]pyridin-4-yl)methyl]-1,4'-bipiperidine
CID 90681212

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium (CID 59500174) is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium is CCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium?
The InChIKey is RPHAMOWQHSAXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C17H10NO.Ir/c1-2-15-13-19(17-11-7-4-8-12-17)20-14-18(15)16-9-5-3-6-10-16;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h3-11,13-14H,2H2,1H3;1-7,9-11H;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium?
2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium has a molecular weight of 694.83 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-ethyl-5-phenyl-2-phenylpyridine;iridium is sourced from PubChem (CID 59500174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).