2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide

C191H169F5Ir5N22O-8 — CID 161185293

About 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 161185293) has the molecular formula C191H169F5Ir5N22O-8 and a molecular weight of 3844.68 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 161185293
• Molecular Formula: C191H169F5Ir5N22O-8
• Molecular Weight: 3844.68 g/mol
• Exact Mass: 3846.20
• IUPAC Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)(O)c1ccccn1.CC1=CC(c2c(C)cccc2C)[N+](c2[c-]cccc2)=N1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(-c5ccccc5)cccc4-c4ccccc4)n3c2cc1C.Cc1ccc2c(c1)c1ccc[c-]c1c1nc(C)c(C)n21.Cc1cccc(C)c1-c1cccc2c3ccc[c-]c3c3nccn3c12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cnc2c3[c-]cccc3c3cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)ccc3n12.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C35H25N2.C31H33N2.C28H27N2.C23H17N2.C18H15N2.C18H18N2.C11H13N4.C10H5F2N2.C9H5F3N3.C8H11NO.5Ir/c1-23-20-31-29-16-9-10-17-30(29)35-36-22-33(37(35)32(31)21-24(23)2)34-27(25-12-5-3-6-13-25)18-11-19-28(34)26-14-7-4-8-15-26;1-18(2)23-15-26(19(3)4)30(27(16-23)20(5)6)22-12-13-29-28(14-22)24-10-8-9-11-25(24)31-32-17-21(7)33(29)31;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;1-15-7-5-8-16(2)21(15)20-12-6-11-18-17-9-3-4-10-19(17)23-24-13-14-25(23)22(18)20;1-11-8-9-17-16(10-11)14-6-4-5-7-15(14)18-19-12(2)13(3)20(17)18;1-13-8-7-9-14(2)18(13)17-12-15(3)19-20(17)16-10-5-4-6-11-16;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-8(2,10)7-5-3-4-6-9-7;;;;;/h3-16,18-22H,1-2H3;8-10,12-20H,1-7H3;6-11,13-15,17H,16H2,1-5H3;3-9,11-14H,1-2H3;4-6,8-10H,1-3H3;4-10,12,17H,1-3H3;4-7H,1-3H3;1-3,5-6H;1-5H;3-6,10H,1-2H3;;;;;/q5*-1;;3*-1
• InChIKey: CDLPSYUMYGNPIM-UHFFFAOYSA-N
• XLogP: 47.54
• TPSA: 253.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3844.68
LogP ≤ 5	47.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 161185293) is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)(C)c1n[n-]c(-c2ccccn2)n1.CC(C)(O)c1ccccn1.CC1=CC(c2c(C)cccc2C)[N+](c2[c-]cccc2)=N1.Cc1cc2c3ccc[c-]c3c3ncc(-c4c(-c5ccccc5)cccc4-c4ccccc4)n3c2cc1C.Cc1ccc2c(c1)c1ccc[c-]c1c1nc(C)c(C)n21.Cc1cccc(C)c1-c1cccc2c3ccc[c-]c3c3nccn3c12.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.Cc1cnc2c3[c-]cccc3c3cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)ccc3n12.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is CDLPSYUMYGNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N2.C31H33N2.C28H27N2.C23H17N2.C18H15N2.C18H18N2.C11H13N4.C10H5F2N2.C9H5F3N3.C8H11NO.5Ir/c1-23-20-31-29-16-9-10-17-30(29)35-36-22-33(37(35)32(31)21-24(23)2)34-27(25-12-5-3-6-13-25)18-11-19-28(34)26-14-7-4-8-15-26;1-18(2)23-15-26(19(3)4)30(27(16-23)20(5)6)22-12-13-29-28(14-22)24-10-8-9-11-25(24)31-32-17-21(7)33(29)31;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;1-15-7-5-8-16(2)21(15)20-12-6-11-18-17-9-3-4-10-19(17)23-24-13-14-25(23)22(18)20;1-11-8-9-17-16(10-11)14-6-4-5-7-15(14)18-19-12(2)13(3)20(17)18;1-13-8-7-9-14(2)18(13)17-12-15(3)19-20(17)16-10-5-4-6-11-16;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-8(2,10)7-5-3-4-6-9-7;;;;;/h3-16,18-22H,1-2H3;8-10,12-20H,1-7H3;6-11,13-15,17H,16H2,1-5H3;3-9,11-14H,1-2H3;4-6,8-10H,1-3H3;4-10,12,17H,1-3H3;4-7H,1-3H3;1-3,5-6H;1-5H;3-6,10H,1-2H3;;;;;/q5*-1;;3*-1;;;;;;.

What are the key properties of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide?

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 3844.68 g/mol, XLogP of 47.54, 16 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-5-methyl-2-phenyl-3H-pyrazol-2-ium;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-pyridin-2-ylpropan-2-ol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,3,7-trimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 161185293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).