iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide

C41H37IrN3-2 — CID 59500305

About iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide

iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide (PubChem CID 59500305) has the molecular formula C41H37IrN3-2 and a molecular weight of 763.99 g/mol. Its IUPAC name is iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide.

Molecular Properties

• Compound Name: iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide
• PubChem CID: 59500305
• Molecular Formula: C41H37IrN3-2
• Molecular Weight: 763.99 g/mol
• Exact Mass: 764.26
• IUPAC Name: iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide
• SMILES: Cc1ccnc(-c2[c-]ccc3c4ccccc4n(CC(C)C)c23)c1.[CH2-]c1ccccc1-c1cc(C)c(-c2ccccc2)cn1.[Ir]
• InChI: InChI=1S/C22H21N2.C19H16N.Ir/c1-15(2)14-24-21-10-5-4-7-17(21)18-8-6-9-19(22(18)24)20-13-16(3)11-12-23-20;1-14-8-6-7-11-17(14)19-12-15(2)18(13-20-19)16-9-4-3-5-10-16;/h4-8,10-13,15H,14H2,1-3H3;3-13H,1H2,2H3;/q2*-1
• InChIKey: KETVSGZGVKNNQT-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.99
LogP ≤ 5	10.52
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;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide?

The IUPAC name of iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide (CID 59500305) is iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide.

What is the SMILES notation for iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide?

The canonical SMILES for iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide is Cc1ccnc(-c2[c-]ccc3c4ccccc4n(CC(C)C)c23)c1.[CH2-]c1ccccc1-c1cc(C)c(-c2ccccc2)cn1.[Ir].

What is the InChIKey of iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide?

The InChIKey is KETVSGZGVKNNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2.C19H16N.Ir/c1-15(2)14-24-21-10-5-4-7-17(21)18-8-6-9-19(22(18)24)20-13-16(3)11-12-23-20;1-14-8-6-7-11-17(14)19-12-15(2)18(13-20-19)16-9-4-3-5-10-16;/h4-8,10-13,15H,14H2,1-3H3;3-13H,1H2,2H3;/q2*-1;.

What are the key properties of iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide?

iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide has a molecular weight of 763.99 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(2-methanidylphenyl)-4-methyl-5-phenylpyridine;9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide is sourced from PubChem (CID 59500305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).