7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen

C140H150F4Ir5N11O-5 — CID 157394573

About 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen

7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen (PubChem CID 157394573) has the molecular formula C140H150F4Ir5N11O-5 and a molecular weight of 3039.89 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen.

Molecular Properties

• Compound Name: 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen
• PubChem CID: 157394573
• Molecular Formula: C140H150F4Ir5N11O-5
• Molecular Weight: 3039.89 g/mol
• Exact Mass: 3042.01
• IUPAC Name: 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen
• SMILES: CCCCCCc1ccc(-c2cc(C(C)C)c(-c3cnc4c5[c-]cc(C(F)(F)F)cc5c5cc(C)c(C)cc5n34)c(C(C)C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3c(NC(C)=O)cnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc2c(c1)c1cc(F)c[c-]c1c1nc(C)c(C)n21.CCCCCCc1ccc2c(c1)c1ccc[c-]c1c1nc(C)c(C)n21.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.[H][H].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C42H44F3N2.C31H34N3O.C23H24FN2.C23H25N2.C21H21N2.5Ir.H2/c1-8-9-10-11-12-29-13-15-30(16-14-29)31-21-34(25(2)3)40(35(22-31)26(4)5)39-24-46-41-33-18-17-32(42(43,44)45)23-36(33)37-19-27(6)28(7)20-38(37)47(39)41;1-5-6-7-9-12-25-15-17-26(18-16-25)28-19-22(2)30(23(3)20-28)34-29(33-24(4)35)21-32-31(34)27-13-10-8-11-14-27;1-4-5-6-7-8-17-9-12-22-21(13-17)20-14-18(24)10-11-19(20)23-25-15(2)16(3)26(22)23;1-4-5-6-7-10-18-13-14-22-21(15-18)19-11-8-9-12-20(19)23-24-16(2)17(3)25(22)23;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;;;;;;/h13-17,19-26H,8-12H2,1-7H3;8,10-11,13,15-21H,5-7,9,12H2,1-4H3,(H,33,35);9-10,12-14H,4-8H2,1-3H3;8-9,11,13-15H,4-7,10H2,1-3H3;5-7,9-11,13H,12H2,1-4H3;;;;;;1H/q5*-1
• InChIKey: DPFWIYYQRITIOM-UHFFFAOYSA-N
• XLogP: 38.56
• TPSA: 116.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3039.89
LogP ≤ 5	38.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen?

The IUPAC name of 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen (CID 157394573) is 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen.

What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen?

The canonical SMILES for 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen is CCCCCCc1ccc(-c2cc(C(C)C)c(-c3cnc4c5[c-]cc(C(F)(F)F)cc5c5cc(C)c(C)cc5n34)c(C(C)C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3c(NC(C)=O)cnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc2c(c1)c1cc(F)c[c-]c1c1nc(C)c(C)n21.CCCCCCc1ccc2c(c1)c1ccc[c-]c1c1nc(C)c(C)n21.Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccc[c-]c3c2n1.[H][H].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen?

The InChIKey is DPFWIYYQRITIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F3N2.C31H34N3O.C23H24FN2.C23H25N2.C21H21N2.5Ir.H2/c1-8-9-10-11-12-29-13-15-30(16-14-29)31-21-34(25(2)3)40(35(22-31)26(4)5)39-24-46-41-33-18-17-32(42(43,44)45)23-36(33)37-19-27(6)28(7)20-38(37)47(39)41;1-5-6-7-9-12-25-15-17-26(18-16-25)28-19-22(2)30(23(3)20-28)34-29(33-24(4)35)21-32-31(34)27-13-10-8-11-14-27;1-4-5-6-7-8-17-9-12-22-21(13-17)20-14-18(24)10-11-19(20)23-25-15(2)16(3)26(22)23;1-4-5-6-7-10-18-13-14-22-21(15-18)19-11-8-9-12-20(19)23-24-16(2)17(3)25(22)23;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;;;;;;/h13-17,19-26H,8-12H2,1-7H3;8,10-11,13,15-21H,5-7,9,12H2,1-4H3,(H,33,35);9-10,12-14H,4-8H2,1-3H3;8-9,11,13-15H,4-7,10H2,1-3H3;5-7,9-11,13H,12H2,1-4H3;;;;;;1H/q5*-1;;;;;;.

What are the key properties of 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen?

7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen has a molecular weight of 3039.89 g/mol, XLogP of 38.56, 29 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-dimethylpropyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-hexyl-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;N-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]acetamide;3-[4-(4-hexylphenyl)-2,6-di(propan-2-yl)phenyl]-6,7-dimethyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);molecular hydrogen is sourced from PubChem (CID 157394573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).