iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine

C37H36IrN2-2 — CID 171590611

About iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine

iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine (PubChem CID 171590611) has the molecular formula C37H36IrN2-2 and a molecular weight of 700.93 g/mol. Its IUPAC name is iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine.

Molecular Properties

• Compound Name: iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine
• PubChem CID: 171590611
• Molecular Formula: C37H36IrN2-2
• Molecular Weight: 700.93 g/mol
• Exact Mass: 701.25
• IUPAC Name: iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine
• SMILES: CC(C)c1ccc2c(c1)C(C)(C)c1cc[c-]c(-c3ccccn3)c1C2(C)C.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H28N.C11H8N.Ir/c1-17(2)18-13-14-20-22(16-18)25(3,4)21-11-9-10-19(24(21)26(20,5)6)23-12-7-8-15-27-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h7-9,11-17H,1-6H3;1-6,8-9H;/q2*-1
• InChIKey: HOYNTODHUJMCOP-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.93
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine?

The IUPAC name of iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine (CID 171590611) is iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine.

What is the SMILES notation for iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine?

The canonical SMILES for iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine is CC(C)c1ccc2c(c1)C(C)(C)c1cc[c-]c(-c3ccccn3)c1C2(C)C.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine?

The InChIKey is HOYNTODHUJMCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N.C11H8N.Ir/c1-17(2)18-13-14-20-22(16-18)25(3,4)21-11-9-10-19(24(21)26(20,5)6)23-12-7-8-15-27-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h7-9,11-17H,1-6H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine?

iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine has a molecular weight of 700.93 g/mol, XLogP of 9.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine is sourced from PubChem (CID 171590611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).