carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium

C31H25IrN3Y-2 — CID 58162789

About carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium

carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium (PubChem CID 58162789) has the molecular formula C31H25IrN3Y-2 and a molecular weight of 720.69 g/mol. Its IUPAC name is carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium.

Molecular Properties

• Compound Name: carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
• PubChem CID: 58162789
• Molecular Formula: C31H25IrN3Y-2
• Molecular Weight: 720.69 g/mol
• Exact Mass: 721.07
• IUPAC Name: carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
• SMILES: CC(C)(c1cnc2c3[c-]cccc3c3ccccc3n12)n1c2ccccc2c2ccccc21.[CH3-].[Ir].[Y]
• InChI: InChI=1S/C30H22N3.CH3.Ir.Y/c1-30(2,33-26-17-9-6-13-22(26)23-14-7-10-18-27(23)33)28-19-31-29-24-15-4-3-11-20(24)21-12-5-8-16-25(21)32(28)29;;;/h3-14,16-19H,1-2H3;1H3;;/q2*-1
• InChIKey: NXQGOCGGZBMZAZ-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 22.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.69
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The IUPAC name of carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium (CID 58162789) is carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium.

What is the SMILES notation for carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The canonical SMILES for carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium is CC(C)(c1cnc2c3[c-]cccc3c3ccccc3n12)n1c2ccccc2c2ccccc21.[CH3-].[Ir].[Y].

What is the InChIKey of carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The InChIKey is NXQGOCGGZBMZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N3.CH3.Ir.Y/c1-30(2,33-26-17-9-6-13-22(26)23-14-7-10-18-27(23)33)28-19-31-29-24-15-4-3-11-20(24)21-12-5-8-16-25(21)32(28)29;;;/h3-14,16-19H,1-2H3;1H3;;/q2*-1;;.

What are the key properties of carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium has a molecular weight of 720.69 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium is sourced from PubChem (CID 58162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).