carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium

C39H34IrN2Y-2 — CID 58162748

About carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium

carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium (PubChem CID 58162748) has the molecular formula C39H34IrN2Y-2 and a molecular weight of 811.84 g/mol. Its IUPAC name is carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium.

Molecular Properties

• Compound Name: carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
• PubChem CID: 58162748
• Molecular Formula: C39H34IrN2Y-2
• Molecular Weight: 811.84 g/mol
• Exact Mass: 812.14
• IUPAC Name: carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
• SMILES: Cc1cc2c3ccc[c-]c3c3ncc(-c4c(-c5ccccc5)cc(C(C)C)cc4-c4ccccc4)n3c2cc1C.[CH3-].[Ir].[Y]
• InChI: InChI=1S/C38H31N2.CH3.Ir.Y/c1-24(2)29-21-32(27-13-7-5-8-14-27)37(33(22-29)28-15-9-6-10-16-28)36-23-39-38-31-18-12-11-17-30(31)34-19-25(3)26(4)20-35(34)40(36)38;;;/h5-17,19-24H,1-4H3;1H3;;/q2*-1
• InChIKey: NQXFDKWWMVLRAS-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.84
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The IUPAC name of carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium (CID 58162748) is carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium.

What is the SMILES notation for carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The canonical SMILES for carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium is Cc1cc2c3ccc[c-]c3c3ncc(-c4c(-c5ccccc5)cc(C(C)C)cc4-c4ccccc4)n3c2cc1C.[CH3-].[Ir].[Y].

What is the InChIKey of carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

The InChIKey is NQXFDKWWMVLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N2.CH3.Ir.Y/c1-24(2)29-21-32(27-13-7-5-8-14-27)37(33(22-29)28-15-9-6-10-16-28)36-23-39-38-31-18-12-11-17-30(31)34-19-25(3)26(4)20-35(34)40(36)38;;;/h5-17,19-24H,1-4H3;1H3;;/q2*-1;;.

What are the key properties of carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium?

carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium has a molecular weight of 811.84 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium is sourced from PubChem (CID 58162748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).