1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C101H95Ir5N10-5 — CID 160603035

About 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 160603035) has the molecular formula C101H95Ir5N10-5 and a molecular weight of 2428.14 g/mol. Its IUPAC name is 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 160603035
• Molecular Formula: C101H95Ir5N10-5
• Molecular Weight: 2428.14 g/mol
• Exact Mass: 2430.70
• IUPAC Name: 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cn2c3ccccc3c3ccc[c-]c3c2n1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)n1-c1c(C(C)C)cccc1C(C)C.[2H]C([2H])([2H])c1nc2c3[c-]cccc3c3ccccc3n2c1-c1c(C)cccc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H19N2.2C22H25N2.C17H15N2.C16H11N2.5Ir/c1-15-9-8-10-16(2)22(15)23-17(3)25-24-20-13-5-4-11-18(20)19-12-6-7-14-21(19)26(23)24;1-15(2)19-12-9-13-20(16(3)4)21(19)24-14-17(5)23-22(24)18-10-7-6-8-11-18;1-15(2)19-12-9-13-20(16(3)4)21(19)24-17(5)14-23-22(24)18-10-7-6-8-11-18;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-11-10-18-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(18)17-11;;;;;/h4-12,14H,1-3H3;2*6-10,12-16H,1-5H3;3-9,11-12H,1-2H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;/i3D3;2*5D3;1D3,2D3;1D3
• InChIKey: ZAROYQKAWNHHEE-JLYKPCTOSA-N
• XLogP: 25.52
• TPSA: 88.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2428.14
LogP ≤ 5	25.52
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 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 160603035) is 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-n1ccnc1-c1[c-]cccc1.[2H]C([2H])([2H])c1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cn2c3ccccc3c3ccc[c-]c3c2n1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)n1-c1c(C(C)C)cccc1C(C)C.[2H]C([2H])([2H])c1nc2c3[c-]cccc3c3ccccc3n2c1-c1c(C)cccc1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is ZAROYQKAWNHHEE-JLYKPCTOSA-N. The full InChI is InChI=1S/C24H19N2.2C22H25N2.C17H15N2.C16H11N2.5Ir/c1-15-9-8-10-16(2)22(15)23-17(3)25-24-20-13-5-4-11-18(20)19-12-6-7-14-21(19)26(23)24;1-15(2)19-12-9-13-20(16(3)4)21(19)24-14-17(5)23-22(24)18-10-7-6-8-11-18;1-15(2)19-12-9-13-20(16(3)4)21(19)24-17(5)14-23-22(24)18-10-7-6-8-11-18;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-11-10-18-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(18)17-11;;;;;/h4-12,14H,1-3H3;2*6-10,12-16H,1-5H3;3-9,11-12H,1-2H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;/i3D3;2*5D3;1D3,2D3;1D3;;;;;.

What are the key properties of 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2428.14 g/mol, XLogP of 25.52, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylimidazole;3-(2,6-dimethylphenyl)-2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-4-(trideuteriomethyl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenyl-5-(trideuteriomethyl)imidazole;pentakis(iridium);2-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 160603035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).