tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium

C146H119Ir5N12-6 — CID 159180309

About tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium

tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 159180309) has the molecular formula C146H119Ir5N12-6 and a molecular weight of 3002.73 g/mol. Its IUPAC name is tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

• Compound Name: tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
• PubChem CID: 159180309
• Molecular Formula: C146H119Ir5N12-6
• Molecular Weight: 3002.73 g/mol
• Exact Mass: 3004.79
• IUPAC Name: tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
• SMILES: C.CC(C)Cc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cccc2)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1
• InChI: InChI=1S/3C18H14N.C17H12N.C15H12N2.C15H16N.C11H9N2.3C11H8N.CH4.5Ir/c1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-12H,13H2;2-10,12-13H,1H3;2-8,10-13H,1H3;1-9,11-13H;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;2-5,7-8H,1H3;3*1-6,8-9H;1H4;;;;;/q+1;3*-1;-2;5*-1;;;;;;+3
• InChIKey: FMHPXOZESVHVOH-UHFFFAOYSA-N
• XLogP: 34.61
• TPSA: 126.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3002.73
LogP ≤ 5	34.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?

The IUPAC name of tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium (CID 159180309) is tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium.

What is the SMILES notation for tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?

The canonical SMILES for tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium is C.CC(C)Cc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cccc2)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1.

What is the InChIKey of tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is FMHPXOZESVHVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H14N.C17H12N.C15H12N2.C15H16N.C11H9N2.3C11H8N.CH4.5Ir/c1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-12H,13H2;2-10,12-13H,1H3;2-8,10-13H,1H3;1-9,11-13H;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;2-5,7-8H,1H3;3*1-6,8-9H;1H4;;;;;/q+1;3*-1;-2;5*-1;;;;;;+3.

What are the key properties of tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?

tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 3002.73 g/mol, XLogP of 34.61, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);iridium(3+);methane;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;4-methyl-2-phenylpyrimidine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 159180309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).