pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C144H102Ir5N14O5-10 — CID 157166540

About pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide

pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 157166540) has the molecular formula C144H102Ir5N14O5-10 and a molecular weight of 3069.58 g/mol. Its IUPAC name is pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 157166540
• Molecular Formula: C144H102Ir5N14O5-10
• Molecular Weight: 3069.58 g/mol
• Exact Mass: 3071.64
• IUPAC Name: pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2oc2c(C(C)C)cccc23)c1.Cc1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.Cc1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3cccnc32)c1-c1ccccn1.[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C23H22NO.2C17H11N2O.2C16H9N2O.5C11H8N.5Ir/c1-14(2)16-11-12-24-21(13-16)20-10-6-9-19-18-8-5-7-17(15(3)4)22(18)25-23(19)20;2*1-11-8-9-15-16(19-11)13-6-4-5-12(17(13)20-15)14-7-2-3-10-18-14;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;1-2-9-17-13(7-1)11-5-3-6-12-15-14(19-16(11)12)8-4-10-18-15;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5-9,11-15H,1-4H3;2*2-4,6-10H,1H3;1-5,7-10H;1-4,6-10H;5*1-6,8-9H;;;;;/q10*-1
• InChIKey: RCSVYLBZUGZIIW-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 246.16 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3069.58
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 157166540) is pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)c1ccnc(-c2[c-]ccc3c2oc2c(C(C)C)cccc23)c1.Cc1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.Cc1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3cccnc32)c1-c1ccccn1.[c-]1ccc2c(oc3ncccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is RCSVYLBZUGZIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO.2C17H11N2O.2C16H9N2O.5C11H8N.5Ir/c1-14(2)16-11-12-24-21(13-16)20-10-6-9-19-18-8-5-7-17(15(3)4)22(18)25-23(19)20;2*1-11-8-9-15-16(19-11)13-6-4-5-12(17(13)20-15)14-7-2-3-10-18-14;1-2-9-17-14(8-1)13-6-3-5-11-12-7-4-10-18-16(12)19-15(11)13;1-2-9-17-13(7-1)11-5-3-6-12-15-14(19-16(11)12)8-4-10-18-15;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h5-9,11-15H,1-4H3;2*2-4,6-10H,1H3;1-5,7-10H;1-4,6-10H;5*1-6,8-9H;;;;;/q10*-1;;;;;.

What are the key properties of pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 3069.58 g/mol, XLogP of 35.42, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);bis(2-methyl-6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide);pentakis(2-phenylpyridine);4-propan-2-yl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 157166540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).