2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine

C36H26IrN2O-2 — CID 162707348

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H18NO.C11H8N.Ir/c1-17(18-7-3-2-4-8-18)19-13-14-26-23(16-19)20-11-12-25-22(15-20)21-9-5-6-10-24(21)27-25;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-17H,1H3;1-6,8-9H;/q2*-1;
InChIKeyQGINYWGASQUGKZ-UHFFFAOYSA-N
MW694.83 g/mol
LogP9.15
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine

2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine (PubChem CID 162707348) has the molecular formula C36H26IrN2O-2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
PubChem CID162707348
Molecular FormulaC36H26IrN2O-2
Molecular Weight694.83 g/mol
Exact Mass695.17
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H18NO.C11H8N.Ir/c1-17(18-7-3-2-4-8-18)19-13-14-26-23(16-19)20-11-12-25-22(15-20)21-9-5-6-10-24(21)27-25;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-17H,1H3;1-6,8-9H;/q2*-1;
InChIKeyQGINYWGASQUGKZ-UHFFFAOYSA-N
XLogP9.15
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 ≤ 59.15
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

2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
[4-(1-deuterio-1-phenylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
CID 162708986
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
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162709837
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164832475
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 163930237
iridium;2-(8-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-(2-methylbutyl)-6-phenyl-3-pyridinyl]germane
CID 162776831
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
4-benzyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707908

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine (CID 162707348) is 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine is CC(c1ccccc1)c1ccnc(-c2[c-]cc3oc4ccccc4c3c2)c1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine?
The InChIKey is QGINYWGASQUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NO.C11H8N.Ir/c1-17(18-7-3-2-4-8-18)19-13-14-26-23(16-19)20-11-12-25-22(15-20)21-9-5-6-10-24(21)27-25;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-17H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine?
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine has a molecular weight of 694.83 g/mol, XLogP of 9.15, 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-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 162707348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).