3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole

C131H133Ir5N10-5 — CID 159748075

About 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole

3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole (PubChem CID 159748075) has the molecular formula C131H133Ir5N10-5 and a molecular weight of 2843.87 g/mol. Its IUPAC name is 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole.

Molecular Properties

• Compound Name: 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole
• PubChem CID: 159748075
• Molecular Formula: C131H133Ir5N10-5
• Molecular Weight: 2843.87 g/mol
• Exact Mass: 2846.11
• IUPAC Name: 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole
• SMILES: [2H]C([2H])([2H])C(C)C([2H])([2H])c1cccc(C([2H])([2H])C(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[2H]C([2H])([2H])C([2H])(C)c1cc(-c2ccccc2)cc(C([2H])(C)C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]cccc2)nc2ccccc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])(c1cccc(C([2H])([2H])C(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C29H29N2.C27H27N2.C25H25N2.C21H23N2.5Ir/c2*1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)27-18-30-29-25-14-6-5-12-23(25)24-13-7-8-15-26(24)31(27)29;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-17(2)20-13-10-14-21(18(3)4)24(20)27-23-16-9-8-15-22(23)26-25(27)19-11-6-5-7-12-19;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h2*5-13,15,18-20H,16-17H2,1-4H3;5-13,15-20H,1-4H3;5-11,13-18H,1-4H3;5-9,11-16H,1-4H3;;;;;/q5*-1;;;;;/i1D3,16D2,17D2;16D2,17D2;1D3,3D3,19D,20D;1D3,3D3,17D,18D;1D3,3D3,15D,16D
• InChIKey: RMCFDKPUVLMKCU-CIAMUSEPSA-N
• XLogP: 34.58
• TPSA: 88.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2843.87
LogP ≤ 5	34.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole?

The IUPAC name of 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole (CID 159748075) is 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole.

What is the SMILES notation for 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole?

The canonical SMILES for 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole is [2H]C([2H])([2H])C(C)C([2H])([2H])c1cccc(C([2H])([2H])C(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[2H]C([2H])([2H])C([2H])(C)c1cc(-c2ccccc2)cc(C([2H])(C)C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1c(-c2[c-]cccc2)nc2ccccc21.[2H]C([2H])([2H])C([2H])(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])(c1cccc(C([2H])([2H])C(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole?

The InChIKey is RMCFDKPUVLMKCU-CIAMUSEPSA-N. The full InChI is InChI=1S/2C29H29N2.C27H27N2.C25H25N2.C21H23N2.5Ir/c2*1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)27-18-30-29-25-14-6-5-12-23(25)24-13-7-8-15-26(24)31(27)29;1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-17(2)20-13-10-14-21(18(3)4)24(20)27-23-16-9-8-15-22(23)26-25(27)19-11-6-5-7-12-19;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h2*5-13,15,18-20H,16-17H2,1-4H3;5-13,15-20H,1-4H3;5-11,13-18H,1-4H3;5-9,11-16H,1-4H3;;;;;/q5*-1;;;;;/i1D3,16D2,17D2;16D2,17D2;1D3,3D3,19D,20D;1D3,3D3,17D,18D;1D3,3D3,15D,16D;;;;;.

What are the key properties of 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole?

3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole has a molecular weight of 2843.87 g/mol, XLogP of 34.58, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-bis(1,1-dideuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole;1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-2-phenylimidazole;3-[2-(1,1-dideuterio-2-methylpropyl)-6-(1,1,3,3,3-pentadeuterio-2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);2-phenyl-1-[4-phenyl-2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]imidazole is sourced from PubChem (CID 159748075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).