5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)

C147H153F8Ir5N10-5 — CID 158785377

About 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)

5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium) (PubChem CID 158785377) has the molecular formula C147H153F8Ir5N10-5 and a molecular weight of 3172.98 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium).

Molecular Properties

• Compound Name: 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
• PubChem CID: 158785377
• Molecular Formula: C147H153F8Ir5N10-5
• Molecular Weight: 3172.98 g/mol
• Exact Mass: 3175.03
• IUPAC Name: 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cc(C(F)(F)F)cc3c3cc(CC(C)(C)C)ccc3n12.CCCCCCc1cc(-c2ccc(C(C)(C)C)cc2)c2c(c1)c1ccc(C(F)(F)F)[c-]c1c1nc(C)cn12.CCCCCCc1ccc(-c2cc(-c3nc(C)cn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2F)cc1.Cc1cn2c3ccc(CC(C)(C)C)cc3c3c(C)cc[c-]c3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C33H34F3N2.C30H32FN2.C29H30FN2.C22H23N2.5Ir/c1-19(2)23-9-8-10-24(20(3)4)30(23)29-18-37-31-25-13-12-22(33(34,35)36)16-26(25)27-15-21(17-32(5,6)7)11-14-28(27)38(29)31;1-6-7-8-9-10-22-17-27(23-11-13-24(14-12-23)32(3,4)5)30-28(18-22)26-16-15-25(33(34,35)36)19-29(26)31-37-21(2)20-38(30)31;1-5-6-7-8-12-24-13-15-25(16-14-24)27-19-26(17-18-28(27)31)30-32-23(4)20-33(30)29-21(2)10-9-11-22(29)3;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30)29-31-18-19-32(29)28-21(2)9-8-10-22(28)3;1-14-7-6-8-17-20(14)18-11-16(12-22(3,4)5)9-10-19(18)24-13-15(2)23-21(17)24;;;;;/h8-12,14-16,18-20H,17H2,1-7H3;11-18,20H,6-10H2,1-5H3;9-11,13-16,18-20H,5-8,12H2,1-4H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;6-7,9-11,13H,12H2,1-5H3;;;;;/q5*-1
• InChIKey: BNLNKQDYFWQFPX-UHFFFAOYSA-N
• XLogP: 41.53
• TPSA: 87.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3172.98
LogP ≤ 5	41.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)?

The IUPAC name of 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium) (CID 158785377) is 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium).

What is the SMILES notation for 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)?

The canonical SMILES for 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium) is CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cc(C(F)(F)F)cc3c3cc(CC(C)(C)C)ccc3n12.CCCCCCc1cc(-c2ccc(C(C)(C)C)cc2)c2c(c1)c1ccc(C(F)(F)F)[c-]c1c1nc(C)cn12.CCCCCCc1ccc(-c2cc(-c3nc(C)cn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2F)cc1.Cc1cn2c3ccc(CC(C)(C)C)cc3c3c(C)cc[c-]c3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)?

The InChIKey is BNLNKQDYFWQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H34F3N2.C30H32FN2.C29H30FN2.C22H23N2.5Ir/c1-19(2)23-9-8-10-24(20(3)4)30(23)29-18-37-31-25-13-12-22(33(34,35)36)16-26(25)27-15-21(17-32(5,6)7)11-14-28(27)38(29)31;1-6-7-8-9-10-22-17-27(23-11-13-24(14-12-23)32(3,4)5)30-28(18-22)26-16-15-25(33(34,35)36)19-29(26)31-37-21(2)20-38(30)31;1-5-6-7-8-12-24-13-15-25(16-14-24)27-19-26(17-18-28(27)31)30-32-23(4)20-33(30)29-21(2)10-9-11-22(29)3;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30)29-31-18-19-32(29)28-21(2)9-8-10-22(28)3;1-14-7-6-8-17-20(14)18-11-16(12-22(3,4)5)9-10-19(18)24-13-15(2)23-21(17)24;;;;;/h8-12,14-16,18-20H,17H2,1-7H3;11-18,20H,6-10H2,1-5H3;9-11,13-16,18-20H,5-8,12H2,1-4H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;6-7,9-11,13H,12H2,1-5H3;;;;;/q5*-1;;;;;.

What are the key properties of 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)?

5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium) has a molecular weight of 3172.98 g/mol, XLogP of 41.53, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylphenyl)-7-hexyl-2-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;7-(2,2-dimethylpropyl)-2,9-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium) is sourced from PubChem (CID 158785377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).