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

C42H28IrN2O2-2 — CID 162710192

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C25H18NO.C17H10NO.Ir/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h2-11,13-17H,1H3;1-7,9-11H;/q2*-1;
InChIKeyYGZUTINLYVGNGT-UHFFFAOYSA-N
MW784.92 g/mol
LogP11.05
Rot. Bonds4

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

2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium (PubChem CID 162710192) has the molecular formula C42H28IrN2O2-2 and a molecular weight of 784.92 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
PubChem CID162710192
Molecular FormulaC42H28IrN2O2-2
Molecular Weight784.92 g/mol
Exact Mass785.18
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C25H18NO.C17H10NO.Ir/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h2-11,13-17H,1H3;1-7,9-11H;/q2*-1;
InChIKeyYGZUTINLYVGNGT-UHFFFAOYSA-N
XLogP11.05
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162708197
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 162708058
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-(3H-dibenzofuran-3-id-4-yl)-4-[dideuterio(phenyl)methyl]pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 177279388
iridium;2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707539
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;2-phenylpyridine
CID 162707348
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686685
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573960
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
CID 162708806
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 167425271

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium (CID 162710192) is 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium is CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The InChIKey is YGZUTINLYVGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NO.C17H10NO.Ir/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;/h2-11,13-17H,1H3;1-7,9-11H;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium has a molecular weight of 784.92 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 162710192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).