bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid

C132H119F3Ir5N13O6-5 — CID 160659958

About bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid

bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 160659958) has the molecular formula C132H119F3Ir5N13O6-5 and a molecular weight of 3001.57 g/mol. Its IUPAC name is bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid
• PubChem CID: 160659958
• Molecular Formula: C132H119F3Ir5N13O6-5
• Molecular Weight: 3001.57 g/mol
• Exact Mass: 3003.75
• IUPAC Name: bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid
• SMILES: Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.O=C(O)c1cc(C(F)(F)F)ccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
• InChI: InChI=1S/2C28H27N2.2C21H21N2.C15H9N2.C7H4F3NO2.2C6H5NO2.5Ir/c2*1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;2*1-14-13-23-19-10-9-15(12-21(2,3)4)11-18(19)16-7-5-6-8-17(16)20(23)22-14;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;8-7(9,10)4-1-2-11-5(3-4)6(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;;/h2*6-11,13-15,17H,16H2,1-5H3;2*5-7,9-11,13H,12H2,1-4H3;1-6,8-10H;1-3H,(H,12,13);2*1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: DPZYZOLOIOURAT-UHFFFAOYSA-N
• XLogP: 32.09
• TPSA: 237.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3001.57
LogP ≤ 5	32.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid?

The IUPAC name of bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 160659958) is bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid.

What is the SMILES notation for bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid?

The canonical SMILES for bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.O=C(O)c1cc(C(F)(F)F)ccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21.

What is the InChIKey of bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid?

The InChIKey is DPZYZOLOIOURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N2.2C21H21N2.C15H9N2.C7H4F3NO2.2C6H5NO2.5Ir/c2*1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;2*1-14-13-23-19-10-9-15(12-21(2,3)4)11-18(19)16-7-5-6-8-17(16)20(23)22-14;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;8-7(9,10)4-1-2-11-5(3-4)6(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;;/h2*6-11,13-15,17H,16H2,1-5H3;2*5-7,9-11,13H,12H2,1-4H3;1-6,8-10H;1-3H,(H,12,13);2*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;.

What are the key properties of bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid?

bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 3001.57 g/mol, XLogP of 32.09, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);bis(7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);bis(pyridine-2-carboxylic acid);4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 160659958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).