5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium

C57H59IrN3O-2 — CID 153432987

About 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium

5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium (PubChem CID 153432987) has the molecular formula C57H59IrN3O-2 and a molecular weight of 994.34 g/mol. Its IUPAC name is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium.

Molecular Properties

• Compound Name: 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium
• PubChem CID: 153432987
• Molecular Formula: C57H59IrN3O-2
• Molecular Weight: 994.34 g/mol
• Exact Mass: 994.43
• IUPAC Name: 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium
• SMILES: CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1
• InChI: InChI=1S/C29H31N2.C28H28NO.Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;/h6-10,16-22H,2-5,11-14H2,1H3;6,11,13-20H,1-5,7-10H2;/q2*-1
• InChIKey: OWYCJDZPRYXBJT-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.34
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium?

The IUPAC name of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium (CID 153432987) is 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium.

What is the SMILES notation for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium?

The canonical SMILES for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium is CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.

What is the InChIKey of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium?

The InChIKey is OWYCJDZPRYXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2.C28H28NO.Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;/h6-10,16-22H,2-5,11-14H2,1H3;6,11,13-20H,1-5,7-10H2;/q2*-1;.

What are the key properties of 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium?

5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium has a molecular weight of 994.34 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium is sourced from PubChem (CID 153432987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).