5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine

C129H122Ir7N28S-14 — CID 160532606

About 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine

5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine (PubChem CID 160532606) has the molecular formula C129H122Ir7N28S-14 and a molecular weight of 3442.18 g/mol. Its IUPAC name is 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine
• PubChem CID: 160532606
• Molecular Formula: C129H122Ir7N28S-14
• Molecular Weight: 3442.18 g/mol
• Exact Mass: 3445.76
• IUPAC Name: 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine
• SMILES: [CH2-]C1N(C)c2nccnc2N1c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2nc(C)c(C)nc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nc(CC(C)(C)C)c(CC(C)(C)C)nc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1C(C)C.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1ccccc1C.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1cccs1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H34N4.C20H18N4.C19H16N4.C18H14N4.C16H12N4S.C15H16N4.C13H12N4.7Ir/c1-20-31(21-14-10-8-11-15-21)25-26(32(20)22-16-12-9-13-17-22)30-24(19-28(5,6)7)23(29-25)18-27(2,3)4;1-14-15(2)22-20-19(21-14)23(17-10-6-4-7-11-17)16(3)24(20)18-12-8-5-9-13-18;1-14-8-6-7-11-17(14)23-15(2)22(16-9-4-3-5-10-16)18-19(23)21-13-12-20-18;1-14-21(15-8-4-2-5-9-15)17-18(20-13-12-19-17)22(14)16-10-6-3-7-11-16;1-12-19(13-6-3-2-4-7-13)15-16(18-10-9-17-15)20(12)14-8-5-11-21-14;1-11(2)18-12(3)19(13-7-5-4-6-8-13)15-14(18)16-9-10-17-15;1-10-16(2)12-13(15-9-8-14-12)17(10)11-6-4-3-5-7-11;;;;;;;/h8-16,20H,1,18-19H2,2-7H3;4-12,16H,3H2,1-2H3;3-9,11-13,15H,2H2,1H3;2-10,12-14H,1H2;2-6,8-12H,1H2;4-7,9-12H,3H2,1-2H3;3-6,8-10H,1H2,2H3;;;;;;;/q7*-2
• InChIKey: RQAAETNNHQTHNA-UHFFFAOYSA-N
• XLogP: 27.61
• TPSA: 225.82 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3442.18
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine?

The IUPAC name of 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine (CID 160532606) is 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine.

What is the SMILES notation for 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine?

The canonical SMILES for 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine is [CH2-]C1N(C)c2nccnc2N1c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2nc(C)c(C)nc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nc(CC(C)(C)C)c(CC(C)(C)C)nc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1C(C)C.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1ccccc1C.[CH2-]C1N(c2[c-]cccc2)c2nccnc2N1c1cccs1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine?

The InChIKey is RQAAETNNHQTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4.C20H18N4.C19H16N4.C18H14N4.C16H12N4S.C15H16N4.C13H12N4.7Ir/c1-20-31(21-14-10-8-11-15-21)25-26(32(20)22-16-12-9-13-17-22)30-24(19-28(5,6)7)23(29-25)18-27(2,3)4;1-14-15(2)22-20-19(21-14)23(17-10-6-4-7-11-17)16(3)24(20)18-12-8-5-9-13-18;1-14-8-6-7-11-17(14)23-15(2)22(16-9-4-3-5-10-16)18-19(23)21-13-12-20-18;1-14-21(15-8-4-2-5-9-15)17-18(20-13-12-19-17)22(14)16-10-6-3-7-11-16;1-12-19(13-6-3-2-4-7-13)15-16(18-10-9-17-15)20(12)14-8-5-11-21-14;1-11(2)18-12(3)19(13-7-5-4-6-8-13)15-14(18)16-9-10-17-15;1-10-16(2)12-13(15-9-8-14-12)17(10)11-6-4-3-5-7-11;;;;;;;/h8-16,20H,1,18-19H2,2-7H3;4-12,16H,3H2,1-2H3;3-9,11-13,15H,2H2,1H3;2-10,12-14H,1H2;2-6,8-12H,1H2;4-7,9-12H,3H2,1-2H3;3-6,8-10H,1H2,2H3;;;;;;;/q7*-2;;;;;;;.

What are the key properties of 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine?

5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine has a molecular weight of 3442.18 g/mol, XLogP of 27.61, 15 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-bis(2,2-dimethylpropyl)-2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;heptakis(iridium);2-methanidyl-5,6-dimethyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;2-methanidyl-1-phenyl-3-thiophen-2-yl-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 160532606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).