6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide

C137H119Ir6N33-20 — CID 162006380

About 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide

6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 162006380) has the molecular formula C137H119Ir6N33-20 and a molecular weight of 3380.99 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide.

Molecular Properties

• Compound Name: 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
• PubChem CID: 162006380
• Molecular Formula: C137H119Ir6N33-20
• Molecular Weight: 3380.99 g/mol
• Exact Mass: 3383.82
• IUPAC Name: 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
• SMILES: CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2cncnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.Cc1cnccc1-c1ncc2c(n1)N(C)[CH-]N2c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2ncnc(-c3c(C)cccc3C)c2N1c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21
• InChI: InChI=1S/C26H22N4.C18H15N5.C17H12N4.3C12H10N4.4C10H10N2.6Ir/c1-18-11-10-12-19(2)23(18)24-25-26(28-17-27-24)30(22-15-8-5-9-16-22)20(3)29(25)21-13-6-4-7-14-21;1-13-10-19-9-8-15(13)17-20-11-16-18(21-17)22(2)12-23(16)14-6-4-3-5-7-14;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)11-7-13-8-14-12(11)15;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;4*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;;/h4-15,17,20H,3H2,1-2H3;3-6,8-12H,1-2H3;1-9,11-13H;3*2-5,7-9H,1H3;4*2-5,7-9H,1H3;;;;;;/q10*-2
• InChIKey: WALPWUJCNMLEHX-UHFFFAOYSA-N
• XLogP: 26.30
• TPSA: 232.37 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.99
LogP ≤ 5	26.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The IUPAC name of 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide (CID 162006380) is 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide.

What is the SMILES notation for 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The canonical SMILES for 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide is CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2cncnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.Cc1cnccc1-c1ncc2c(n1)N(C)[CH-]N2c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2ncnc(-c3c(C)cccc3C)c2N1c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21.

What is the InChIKey of 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The InChIKey is WALPWUJCNMLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4.C18H15N5.C17H12N4.3C12H10N4.4C10H10N2.6Ir/c1-18-11-10-12-19(2)23(18)24-25-26(28-17-27-24)30(22-15-8-5-9-16-22)20(3)29(25)21-13-6-4-7-14-21;1-13-10-19-9-8-15(13)17-20-11-16-18(21-17)22(2)12-23(16)14-6-4-3-5-7-14;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)11-7-13-8-14-12(11)15;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;4*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;;;;/h4-15,17,20H,3H2,1-2H3;3-6,8-12H,1-2H3;1-9,11-13H;3*2-5,7-9H,1H3;4*2-5,7-9H,1H3;;;;;;/q10*-2;;;;;;.

What are the key properties of 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide has a molecular weight of 3380.99 g/mol, XLogP of 26.30, 14 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide is sourced from PubChem (CID 162006380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).