2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile

C175H167F3Ir5N17O-7 — CID 158666586

About 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile

2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile (PubChem CID 158666586) has the molecular formula C175H167F3Ir5N17O-7 and a molecular weight of 3542.46 g/mol. Its IUPAC name is 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile.

Molecular Properties

• Compound Name: 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile
• PubChem CID: 158666586
• Molecular Formula: C175H167F3Ir5N17O-7
• Molecular Weight: 3542.46 g/mol
• Exact Mass: 3544.17
• IUPAC Name: 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c3cc(C(F)(F)F)c[c-]c3c3nc(Cc4ccccc4)cn3c2c1.CCCCCCc1cc(C)c(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.CCCc1cc(C)c(-c2ccnc(-c3[c-]ccc(-c4c(C)cc(C)cc4C)c3)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(C#N)c2)c(C)c1.[C-]#[N+]c1cc[c-]c(-c2nc(CCCC)cn2-c2c(C)cc(C)cc2C)c1.[C-]#[N+]c1cc[c-]c(-c2nc(OCCC)cn2-c2c(C)cc(C)cc2C)c1.[C-]#[N+]c1cn(-c2c(C)cc(C)cc2C)c(-c2[c-]ccc(C#N)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C35H30F3N2.C31H32N.C25H28N.C23H24N3.C22H22N3O.C20H15N4.C19H16N3.5Ir/c1-21(2)27-11-8-12-28(22(3)4)33(27)24-13-15-29-31-19-25(35(36,37)38)14-16-30(31)34-39-26(20-40(34)32(29)18-24)17-23-9-6-5-7-10-23;1-7-9-25-16-23(5)31(24(6)17-25)28-12-13-32-29(19-28)26-10-8-11-27(18-26)30-21(3)14-20(2)15-22(30)4;1-4-5-6-8-11-21-16-19(2)25(20(3)17-21)23-14-15-26-24(18-23)22-12-9-7-10-13-22;1-6-7-10-21-15-26(22-17(3)12-16(2)13-18(22)4)23(25-21)19-9-8-11-20(14-19)24-5;1-6-10-26-20-14-25(21-16(3)11-15(2)12-17(21)4)22(24-20)18-8-7-9-19(13-18)23-5;1-13-8-14(2)19(15(3)9-13)24-12-18(22-4)23-20(24)17-7-5-6-16(10-17)11-21;1-13-9-14(2)18(15(3)10-13)22-8-7-21-19(22)17-6-4-5-16(11-17)12-20;;;;;/h5-15,18-22H,17H2,1-4H3;8,11-19H,7,9H2,1-6H3;7,9-10,12,14-18H,4-6,8,11H2,1-3H3;8,11-15H,6-7,10H2,1-4H3;7,9,11-14H,6,10H2,1-4H3;5-6,8-10,12H,1-3H3;4-5,7-11H,1-3H3;;;;;/q7*-1
• InChIKey: LPFXNWVNFRRCNL-UHFFFAOYSA-N
• XLogP: 45.87
• TPSA: 184.25 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3542.46
LogP ≤ 5	45.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile?

The IUPAC name of 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile (CID 158666586) is 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile.

What is the SMILES notation for 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile?

The canonical SMILES for 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile is CC(C)c1cccc(C(C)C)c1-c1ccc2c3cc(C(F)(F)F)c[c-]c3c3nc(Cc4ccccc4)cn3c2c1.CCCCCCc1cc(C)c(-c2ccnc(-c3[c-]cccc3)c2)c(C)c1.CCCc1cc(C)c(-c2ccnc(-c3[c-]ccc(-c4c(C)cc(C)cc4C)c3)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(C#N)c2)c(C)c1.[C-]#[N+]c1cc[c-]c(-c2nc(CCCC)cn2-c2c(C)cc(C)cc2C)c1.[C-]#[N+]c1cc[c-]c(-c2nc(OCCC)cn2-c2c(C)cc(C)cc2C)c1.[C-]#[N+]c1cn(-c2c(C)cc(C)cc2C)c(-c2[c-]ccc(C#N)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile?

The InChIKey is LPFXNWVNFRRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N2.C31H32N.C25H28N.C23H24N3.C22H22N3O.C20H15N4.C19H16N3.5Ir/c1-21(2)27-11-8-12-28(22(3)4)33(27)24-13-15-29-31-19-25(35(36,37)38)14-16-30(31)34-39-26(20-40(34)32(29)18-24)17-23-9-6-5-7-10-23;1-7-9-25-16-23(5)31(24(6)17-25)28-12-13-32-29(19-28)26-10-8-11-27(18-26)30-21(3)14-20(2)15-22(30)4;1-4-5-6-8-11-21-16-19(2)25(20(3)17-21)23-14-15-26-24(18-23)22-12-9-7-10-13-22;1-6-7-10-21-15-26(22-17(3)12-16(2)13-18(22)4)23(25-21)19-9-8-11-20(14-19)24-5;1-6-10-26-20-14-25(21-16(3)11-15(2)12-17(21)4)22(24-20)18-8-7-9-19(13-18)23-5;1-13-8-14(2)19(15(3)9-13)24-12-18(22-4)23-20(24)17-7-5-6-16(10-17)11-21;1-13-9-14(2)18(15(3)10-13)22-8-7-21-19(22)17-6-4-5-16(11-17)12-20;;;;;/h5-15,18-22H,17H2,1-4H3;8,11-19H,7,9H2,1-6H3;7,9-10,12,14-18H,4-6,8,11H2,1-3H3;8,11-15H,6-7,10H2,1-4H3;7,9,11-14H,6,10H2,1-4H3;5-6,8-10,12H,1-3H3;4-5,7-11H,1-3H3;;;;;/q7*-1;;;;;.

What are the key properties of 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile?

2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile has a molecular weight of 3542.46 g/mol, XLogP of 45.87, 31 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-[2,6-di(propan-2-yl)phenyl]-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-butyl-2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;4-(2,6-dimethyl-4-propylphenyl)-2-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;4-(4-hexyl-2,6-dimethylphenyl)-2-phenylpyridine;pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-propoxy-1-(2,4,6-trimethylphenyl)imidazole;3-[4-isocyano-1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile is sourced from PubChem (CID 158666586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).