bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile

C163H135Ir5N30O5-9 — CID 157479771

About bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile

bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile (PubChem CID 157479771) has the molecular formula C163H135Ir5N30O5-9 and a molecular weight of 3555.16 g/mol. Its IUPAC name is bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile.

Molecular Properties

• Compound Name: bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile
• PubChem CID: 157479771
• Molecular Formula: C163H135Ir5N30O5-9
• Molecular Weight: 3555.16 g/mol
• Exact Mass: 3556.94
• IUPAC Name: bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-c1cnn(-c2[c-]cccc2)c1.Cc1cccc(C)c1-n1cc(-c2[c-]ccc(C#N)c2)nn1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1N1N=[N+]=NC1c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.N#Cc1cc[c-]c(-n2cccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C22H22N3O.C19H16N3O.3C18H14N3O.C17H13N4.C17H15N2.C15H14N4.C10H6N3.C9H7N2.5Ir/c1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-20-19(12-16)24-13-26-20;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;2*1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;1-12-5-3-6-13(2)17(12)21-11-16(19-20-21)15-8-4-7-14(9-15)10-18;1-13-7-6-8-14(2)17(13)15-11-18-19(12-15)16-9-4-3-5-10-16;1-11-7-6-8-12(2)14(11)19-15(16-17-18-19)13-9-4-3-5-10-13;11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;/h5-7,9-15H,1-4H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;2*3-5,7-11H,1-2H3;3-7,9,11H,1-2H3;3-9,11-12H,1-2H3;3-9,15H,1-2H3;1-3,5-7H;1-5,7-8H;;;;;/q7*-1;;2*-1
• InChIKey: IZVJWTVKRGLTLK-UHFFFAOYSA-N
• XLogP: 36.32
• TPSA: 393.06 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3555.16
LogP ≤ 5	36.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile?

The IUPAC name of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile (CID 157479771) is bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile.

What is the SMILES notation for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile?

The canonical SMILES for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-c1cnn(-c2[c-]cccc2)c1.Cc1cccc(C)c1-n1cc(-c2[c-]ccc(C#N)c2)nn1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc2ncoc12.Cc1cccc(C)c1N1N=[N+]=NC1c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.N#Cc1cc[c-]c(-n2cccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.

What is the InChIKey of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile?

The InChIKey is IZVJWTVKRGLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3O.C19H16N3O.3C18H14N3O.C17H13N4.C17H15N2.C15H14N4.C10H6N3.C9H7N2.5Ir/c1-14(2)17-6-5-7-18(15(3)4)21(17)25-11-10-23-22(25)16-8-9-20-19(12-16)24-13-26-20;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;2*1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;1-12-5-3-6-13(2)17(12)21-11-16(19-20-21)15-8-4-7-14(9-15)10-18;1-13-7-6-8-14(2)17(13)15-11-18-19(12-15)16-9-4-3-5-10-16;1-11-7-6-8-12(2)14(11)19-15(16-17-18-19)13-9-4-3-5-10-13;11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;/h5-7,9-15H,1-4H3;4-6,8-11H,1-3H3;3-6,8-11H,1-2H3;2*3-5,7-11H,1-2H3;3-7,9,11H,1-2H3;3-9,11-12H,1-2H3;3-9,15H,1-2H3;1-3,5-7H;1-5,7-8H;;;;;/q7*-1;;2*-1;;;;;.

What are the key properties of bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile?

bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile has a molecular weight of 3555.16 g/mol, XLogP of 36.32, 20 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide);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;4-(2,6-dimethylphenyl)-1-phenylpyrazole;1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triaza-3-azoniacyclopenta-2,3-diene;3-[1-(2,6-dimethylphenyl)triazol-4-yl]benzene-4-ide-1-carbonitrile;5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;pentakis(iridium);1-phenylpyrazole;3-pyrazol-1-ylbenzene-4-ide-1-carbonitrile is sourced from PubChem (CID 157479771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).