Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide

C₂₄H₁₉IrN₂O- — CID 59359067

About Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide

Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 59359067) has the molecular formula C₂₄H₁₉IrN₂O- and a molecular weight of 543.65 g/mol. Its IUPAC name is iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 59359067
• Molecular Formula: C₂₄H₁₉IrN₂O-
• Molecular Weight: 543.65 g/mol
• Exact Mass: 544.11
• IUPAC Name: iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: Cc1cc(C)c2c(c1)c1cc(Oc3ccccc3)c[c-]c1c1ncc(C)n12.[Ir]
• InChI: InChI=1S/C24H19N2O.Ir/c1-15-11-16(2)23-22(12-15)21-13-19(27-18-7-5-4-6-8-18)9-10-20(21)24-25-14-17(3)26(23)24;/h4-9,11-14H,1-3H3;/q-1
• InChIKey: YXPNMEFXYXAZBT-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 26.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.65
LogP ≤ 5	6.16
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 Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 59359067) is iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cc(C)c2c(c1)c1cc(Oc3ccccc3)c[c-]c1c1ncc(C)n12.[Ir].

What is the InChIKey of Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is YXPNMEFXYXAZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2O.Ir/c1-15-11-16(2)23-22(12-15)21-13-19(27-18-7-5-4-6-8-18)9-10-20(21)24-25-14-17(3)26(23)24;/h4-9,11-14H,1-3H3;/q-1;.

What are the key properties of Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide?

Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 543.65 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Iridium;3,5,7-trimethyl-10-phenoxy-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 59359067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59359067 — identifiers, structure, computed properties (public domain)

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