3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C31H25IrN2- — CID 59358756

About 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358756) has the molecular formula C31H25IrN2- and a molecular weight of 617.77 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

• Compound Name: 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• PubChem CID: 59358756
• Molecular Formula: C31H25IrN2-
• Molecular Weight: 617.77 g/mol
• Exact Mass: 618.17
• IUPAC Name: 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• SMILES: Cc1ccc2c3ccc[c-]c3c3nc(C)c(-c4c(C)cc(-c5ccccc5)cc4C)n3c2c1.[Ir]
• InChI: InChI=1S/C31H25N2.Ir/c1-19-14-15-26-25-12-8-9-13-27(25)31-32-22(4)30(33(31)28(26)16-19)29-20(2)17-24(18-21(29)3)23-10-6-5-7-11-23;/h5-12,14-18H,1-4H3;/q-1
• InChIKey: PUKJGECFPARQBT-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.77
LogP ≤ 5	8.01
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 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358756) is 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

What is the SMILES notation for 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The canonical SMILES for 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1ccc2c3ccc[c-]c3c3nc(C)c(-c4c(C)cc(-c5ccccc5)cc4C)n3c2c1.[Ir].

What is the InChIKey of 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The InChIKey is PUKJGECFPARQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N2.Ir/c1-19-14-15-26-25-12-8-9-13-27(25)31-32-22(4)30(33(31)28(26)16-19)29-20(2)17-24(18-21(29)3)23-10-6-5-7-11-23;/h5-12,14-18H,1-4H3;/q-1;.

What are the key properties of 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 617.77 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).