iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine

C34H31IrN3-2 — CID 171590614

About iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine

iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine (PubChem CID 171590614) has the molecular formula C34H31IrN3-2 and a molecular weight of 673.86 g/mol. Its IUPAC name is iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine.

Molecular Properties

• Compound Name: iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine
• PubChem CID: 171590614
• Molecular Formula: C34H31IrN3-2
• Molecular Weight: 673.86 g/mol
• Exact Mass: 674.22
• IUPAC Name: iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine
• SMILES: Cc1ccnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2C3(C)C)c1.[Ir].[c-]1ccccc1-c1cnccn1
• InChI: InChI=1S/C24H24N.C10H7N2.Ir/c1-16-13-14-25-21(15-16)17-9-8-12-20-22(17)24(4,5)19-11-7-6-10-18(19)23(20,2)3;1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h6-8,10-15H,1-5H3;1-4,6-8H;/q2*-1
• InChIKey: PJIXEYJLUYBLDB-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.86
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine?

The IUPAC name of iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine (CID 171590614) is iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine.

What is the SMILES notation for iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine?

The canonical SMILES for iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine is Cc1ccnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2C3(C)C)c1.[Ir].[c-]1ccccc1-c1cnccn1.

What is the InChIKey of iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine?

The InChIKey is PJIXEYJLUYBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N.C10H7N2.Ir/c1-16-13-14-25-21(15-16)17-9-8-12-20-22(17)24(4,5)19-11-7-6-10-18(19)23(20,2)3;1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h6-8,10-15H,1-5H3;1-4,6-8H;/q2*-1;.

What are the key properties of iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine?

iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine has a molecular weight of 673.86 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-2-(9,9,10,10-tetramethyl-2H-anthracen-2-id-1-yl)pyridine;2-phenylpyrazine is sourced from PubChem (CID 171590614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).