3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide

C132H97F17Ir6N12-6 — CID 160784608

About 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide

3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 160784608) has the molecular formula C132H97F17Ir6N12-6 and a molecular weight of 3327.58 g/mol. Its IUPAC name is 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 160784608
• Molecular Formula: C132H97F17Ir6N12-6
• Molecular Weight: 3327.58 g/mol
• Exact Mass: 3330.55
• IUPAC Name: 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: CC(C)(C)Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(F)c(F)c(F)c(F)c3F)n21.Cc1cccc(C)c1-c1cnc2c3[c-]cc(C(F)(F)F)cc3c3cc(CC(C)(C)C)ccc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cc(F)cc3c3cc(CC(C)(C)C)c(F)cc3n12.Cc1cn2c(n1)c1[c-]cc(F)cc1c1cccc(F)c12.Cc1nc2c3[c-]cc(F)c(F)c3c3cc(F)ccc3n2c1C.Cc1nc2c3[c-]cc(F)cc3c3ccccc3n2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H26F3N2.C28H25F2N2.C26H18F5N2.C17H10F3N2.2C16H9F2N2.6Ir/c1-17-7-6-8-18(2)26(17)25-16-33-27-21-11-10-20(29(30,31)32)14-22(21)23-13-19(15-28(3,4)5)9-12-24(23)34(25)27;1-16-7-6-8-17(2)26(16)25-15-31-27-20-10-9-19(29)12-21(20)22-11-18(14-28(3,4)5)23(30)13-24(22)32(25)27;1-26(2,3)11-13-8-9-17-16(10-13)14-6-4-5-7-15(14)25-32-12-18(33(17)25)19-20(27)22(29)24(31)23(30)21(19)28;1-8-9(2)22-14-6-3-10(18)7-12(14)15-11(17(22)21-8)4-5-13(19)16(15)20;1-9-8-20-15-11(3-2-4-14(15)18)13-7-10(17)5-6-12(13)16(20)19-9;1-9-15(18)20-14-5-3-2-4-11(14)13-8-10(17)6-7-12(13)16(20)19-9;;;;;;/h6-10,12-14,16H,15H2,1-5H3;6-9,11-13,15H,14H2,1-5H3;4-6,8-10,12H,11H2,1-3H3;3,5-7H,1-2H3;2-5,7-8H,1H3;2-6,8H,1H3;;;;;;/q6*-1
• InChIKey: CQSWIJCYAHDUDA-UHFFFAOYSA-N
• XLogP: 35.83
• TPSA: 103.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3327.58
LogP ≤ 5	35.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 160784608) is 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)(C)Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(F)c(F)c(F)c(F)c3F)n21.Cc1cccc(C)c1-c1cnc2c3[c-]cc(C(F)(F)F)cc3c3cc(CC(C)(C)C)ccc3n12.Cc1cccc(C)c1-c1cnc2c3[c-]cc(F)cc3c3cc(CC(C)(C)C)c(F)cc3n12.Cc1cn2c(n1)c1[c-]cc(F)cc1c1cccc(F)c12.Cc1nc2c3[c-]cc(F)c(F)c3c3cc(F)ccc3n2c1C.Cc1nc2c3[c-]cc(F)cc3c3ccccc3n2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is CQSWIJCYAHDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N2.C28H25F2N2.C26H18F5N2.C17H10F3N2.2C16H9F2N2.6Ir/c1-17-7-6-8-18(2)26(17)25-16-33-27-21-11-10-20(29(30,31)32)14-22(21)23-13-19(15-28(3,4)5)9-12-24(23)34(25)27;1-16-7-6-8-17(2)26(16)25-15-31-27-20-10-9-19(29)12-21(20)22-11-18(14-28(3,4)5)23(30)13-24(22)32(25)27;1-26(2,3)11-13-8-9-17-16(10-13)14-6-4-5-7-15(14)25-32-12-18(33(17)25)19-20(27)22(29)24(31)23(30)21(19)28;1-8-9(2)22-14-6-3-10(18)7-12(14)15-11(17(22)21-8)4-5-13(19)16(15)20;1-9-8-20-15-11(3-2-4-14(15)18)13-7-10(17)5-6-12(13)16(20)19-9;1-9-15(18)20-14-5-3-2-4-11(14)13-8-10(17)6-7-12(13)16(20)19-9;;;;;;/h6-10,12-14,16H,15H2,1-5H3;6-9,11-13,15H,14H2,1-5H3;4-6,8-10,12H,11H2,1-3H3;3,5-7H,1-2H3;2-5,7-8H,1H3;2-6,8H,1H3;;;;;;/q6*-1;;;;;;.

What are the key properties of 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 3327.58 g/mol, XLogP of 35.83, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 160784608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).