3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine

C81H60IrN4O — CID 161297680

About 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine

3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine (PubChem CID 161297680) has the molecular formula C81H60IrN4O and a molecular weight of 1297.61 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine
• PubChem CID: 161297680
• Molecular Formula: C81H60IrN4O
• Molecular Weight: 1297.61 g/mol
• Exact Mass: 1297.44
• IUPAC Name: 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccc2ccccc2c1.Cc1cc2[n+](cc1-c1ccc3ccccc3c1)Cc1ccccc1-2.Cc1cc2[n+](cc1-c1cccc3c1oc1ccccc13)Cc1ccccc1-2.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C25H18NO.C23H18N.C22H16N.C11H8N.Ir/c1-16-13-23-18-8-3-2-7-17(18)14-26(23)15-22(16)21-11-6-10-20-19-9-4-5-12-24(19)27-25(20)21;1-16-12-23-21-9-5-4-8-20(21)14-24(23)15-22(16)19-11-10-17-6-2-3-7-18(17)13-19;1-16-13-22(18-8-3-2-4-9-18)23-15-21(16)20-12-11-17-7-5-6-10-19(17)14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13,15H,14H2,1H3;2-13,15H,14H2,1H3;2-8,10-15H,1H3;1-6,8-9H;/q2*+1;2*-1
• InChIKey: RZQJINSZAZUUTP-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 46.68 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.61
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The IUPAC name of 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine (CID 161297680) is 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine.

What is the SMILES notation for 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The canonical SMILES for 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccc2ccccc2c1.Cc1cc2[n+](cc1-c1ccc3ccccc3c1)Cc1ccccc1-2.Cc1cc2[n+](cc1-c1cccc3c1oc1ccccc13)Cc1ccccc1-2.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The InChIKey is RZQJINSZAZUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NO.C23H18N.C22H16N.C11H8N.Ir/c1-16-13-23-18-8-3-2-7-17(18)14-26(23)15-22(16)21-11-6-10-20-19-9-4-5-12-24(19)27-25(20)21;1-16-12-23-21-9-5-4-8-20(21)14-24(23)15-22(16)19-11-10-17-6-2-3-7-18(17)13-19;1-16-13-22(18-8-3-2-4-9-18)23-15-21(16)20-12-11-17-7-5-6-10-19(17)14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13,15H,14H2,1H3;2-13,15H,14H2,1H3;2-8,10-15H,1H3;1-6,8-9H;/q2*+1;2*-1;.

What are the key properties of 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine has a molecular weight of 1297.61 g/mol, XLogP of 19.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-2-methyl-6H-pyrido[2,1-a]isoindol-5-ium;iridium;4-methyl-5-naphthalen-2-yl-2-phenylpyridine;2-methyl-3-naphthalen-2-yl-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine is sourced from PubChem (CID 161297680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).