bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C138H141F3Ir4N14O2OsP2-2 — CID 159314305

About bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159314305) has the molecular formula C138H141F3Ir4N14O2OsP2-2 and a molecular weight of 3105.78 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159314305
• Molecular Formula: C138H141F3Ir4N14O2OsP2-2
• Molecular Weight: 3105.78 g/mol
• Exact Mass: 3108.89
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1nc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n2c1-c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1ccccc1
• InChI: InChI=1S/C33H37N2.C32H35N2.C19H13N2.C15H11N2.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.4Ir.Os/c1-20(2)24-14-11-15-25(21(3)4)30(24)31-22(5)34-32-27-13-10-9-12-26(27)28-18-23(19-33(6,7)8)16-17-29(28)35(31)32;1-20(2)23-13-10-14-24(21(3)4)30(23)29-19-33-31-26-12-9-8-11-25(26)27-17-22(18-32(5,6)7)15-16-28(27)34(29)31;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;/h9-12,14-18,20-21H,19H2,1-8H3;8-11,13-17,19-21H,18H2,1-7H3;1-9,11-14H;1-7,9-12H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;/q6*-1;;;;;;;;+2/p+2
• InChIKey: OTSSGUGZTYPIAN-UHFFFAOYSA-P
• XLogP: 34.15
• TPSA: 187.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3105.78
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159314305) is bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1nc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n2c1-c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1ccccc1.

What is the InChIKey of bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is OTSSGUGZTYPIAN-UHFFFAOYSA-P. The full InChI is InChI=1S/C33H37N2.C32H35N2.C19H13N2.C15H11N2.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.4Ir.Os/c1-20(2)24-14-11-15-25(21(3)4)30(24)31-22(5)34-32-27-13-10-9-12-26(27)28-18-23(19-33(6,7)8)16-17-29(28)35(31)32;1-20(2)23-13-10-14-24(21(3)4)30(23)29-19-33-31-26-12-9-8-11-25(26)27-17-22(18-32(5,6)7)15-16-28(27)34(29)31;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;/h9-12,14-18,20-21H,19H2,1-8H3;8-11,13-17,19-21H,18H2,1-7H3;1-9,11-14H;1-7,9-12H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;/q6*-1;;;;;;;;+2/p+2.

What are the key properties of bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3105.78 g/mol, XLogP of 34.15, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;1-phenyl-2-phenylimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159314305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).