2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C136H99F3Ir5N22-10 — CID 158283533

About 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 158283533) has the molecular formula C136H99F3Ir5N22-10 and a molecular weight of 3059.52 g/mol. Its IUPAC name is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 158283533
• Molecular Formula: C136H99F3Ir5N22-10
• Molecular Weight: 3059.52 g/mol
• Exact Mass: 3061.66
• IUPAC Name: 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(C2=NCC[N-]2)nc1
• InChI: InChI=1S/4C20H14N.C15H10N.C10H10N3.C8H4F3N4.C8H6N3.C8H8N3.C7H5N4.5Ir/c4*1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-9-7(3-1)8-10-5-6-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;;;/h4*2-10,12-13H,1H3;1-7,9-11H;3-6H,1-2H3;1-4H;1-6H;1-4H,5-6H2;1-5H;;;;;/q10*-1
• InChIKey: SKLSYDQBXYBZAY-UHFFFAOYSA-N
• XLogP: 30.39
• TPSA: 289.10 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3059.52
LogP ≤ 5	30.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 158283533) is 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1cc(-c2[c-]ccc3ccccc23)nc2ccccc12.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2cnn[n-]2)nc1.c1ccc(C2=NCC[N-]2)nc1.

What is the InChIKey of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is SKLSYDQBXYBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H14N.C15H10N.C10H10N3.C8H4F3N4.C8H6N3.C8H8N3.C7H5N4.5Ir/c4*1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-9-7(3-1)8-10-5-6-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;;;;;/h4*2-10,12-13H,1H3;1-7,9-11H;3-6H,1-2H3;1-4H;1-6H;1-4H,5-6H2;1-5H;;;;;/q10*-1;;;;;.

What are the key properties of 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 3059.52 g/mol, XLogP of 30.39, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);tetrakis(4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline);1-phenylisoquinoline;2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 158283533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).