carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium

C31H34IrN2Y-2 — CID 58162854

About carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium

carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium (PubChem CID 58162854) has the molecular formula C31H34IrN2Y-2 and a molecular weight of 715.75 g/mol. Its IUPAC name is carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium.

Molecular Properties

• Compound Name: carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
• PubChem CID: 58162854
• Molecular Formula: C31H34IrN2Y-2
• Molecular Weight: 715.75 g/mol
• Exact Mass: 716.14
• IUPAC Name: carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
• SMILES: CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.[CH3-].[Ir].[Y]
• InChI: InChI=1S/C30H31N2.CH3.Ir.Y/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;;;/h7-9,11-20H,1-6H3;1H3;;/q2*-1
• InChIKey: VDHDFWBDRVNYME-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.75
LogP ≤ 5	8.92
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;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium?

The IUPAC name of carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium (CID 58162854) is carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium.

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

The canonical SMILES for carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium is CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)c(C(C)C)c1.[CH3-].[Ir].[Y].

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

The InChIKey is VDHDFWBDRVNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2.CH3.Ir.Y/c1-18(2)22-16-25(19(3)4)29(26(17-22)20(5)6)21-11-12-28-27(15-21)23-9-7-8-10-24(23)30-31-13-14-32(28)30;;;/h7-9,11-20H,1-6H3;1H3;;/q2*-1;;.

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

carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium has a molecular weight of 715.75 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium is sourced from PubChem (CID 58162854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).