7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)

C140H115Ir4N27O4-8 — CID 157175323

About 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)

7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium) (PubChem CID 157175323) has the molecular formula C140H115Ir4N27O4-8 and a molecular weight of 3008.51 g/mol. Its IUPAC name is 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)
• PubChem CID: 157175323
• Molecular Formula: C140H115Ir4N27O4-8
• Molecular Weight: 3008.51 g/mol
• Exact Mass: 3009.82
• IUPAC Name: 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)
• SMILES: Cc1cccc(C)c1-n1cc(-c2[c-]ccc(C#N)c2)nn1.Cc1cccc(C)c1-n1cc(-c2[c-]cccc2)nn1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1cnc(-c2[c-]ccc(C#N)c2)n1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccnc2)n1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C19H16N3O.C18H14N3O.2C17H13N4.C16H14N3.C15H13N4.4Ir/c2*1-12-6-4-7-13(2)17(12)22-11-10-20-19(22)15-8-5-9-16-18(15)23-14(3)21-16;1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;1-12-5-3-6-13(2)16(12)21-11-19-17(20-21)15-8-4-7-14(9-15)10-18;1-12-5-3-6-13(2)17(12)21-11-16(19-20-21)15-8-4-7-14(9-15)10-18;1-12-7-6-8-13(2)16(12)19-11-15(17-18-19)14-9-4-3-5-10-14;1-11-5-3-6-12(2)14(11)19-10-17-15(18-19)13-7-4-8-16-9-13;;;;/h2*4-7,9-11H,1-3H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;2*3-7,9,11H,1-2H3;3-9,11H,1-2H3;3-6,8-10H,1-2H3;;;;/q8*-1
• InChIKey: YLOSQWYPBOEZQC-UHFFFAOYSA-N
• XLogP: 29.85
• TPSA: 358.71 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3008.51
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)?

The IUPAC name of 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium) (CID 157175323) is 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium).

What is the SMILES notation for 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)?

The canonical SMILES for 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium) is Cc1cccc(C)c1-n1cc(-c2[c-]ccc(C#N)c2)nn1.Cc1cccc(C)c1-n1cc(-c2[c-]cccc2)nn1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1-n1cnc(-c2[c-]ccc(C#N)c2)n1.Cc1cccc(C)c1-n1cnc(-c2[c-]ccnc2)n1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.Cc1nc2cc[c-]c(-c3nccn3-c3c(C)cccc3C)c2o1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)?

The InChIKey is YLOSQWYPBOEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16N3O.C18H14N3O.2C17H13N4.C16H14N3.C15H13N4.4Ir/c2*1-12-6-4-7-13(2)17(12)22-11-10-20-19(22)15-8-5-9-16-18(15)23-14(3)21-16;1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-5-3-6-13(2)16(12)21-10-9-19-18(21)14-7-4-8-15-17(14)22-11-20-15;1-12-5-3-6-13(2)16(12)21-11-19-17(20-21)15-8-4-7-14(9-15)10-18;1-12-5-3-6-13(2)17(12)21-11-16(19-20-21)15-8-4-7-14(9-15)10-18;1-12-7-6-8-13(2)16(12)19-11-15(17-18-19)14-9-4-3-5-10-14;1-11-5-3-6-12(2)14(11)19-10-17-15(18-19)13-7-4-8-16-9-13;;;;/h2*4-7,9-11H,1-3H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;2*3-7,9,11H,1-2H3;3-9,11H,1-2H3;3-6,8-10H,1-2H3;;;;/q8*-1;;;;.

What are the key properties of 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium)?

7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium) has a molecular weight of 3008.51 g/mol, XLogP of 29.85, 16 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(7-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);1-(2,6-dimethylphenyl)-4-phenyltriazole;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;3-[1-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;tetrakis(iridium) is sourced from PubChem (CID 157175323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).