iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide

C35H36IrN10-6 — CID 155625599

About iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide

iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide (PubChem CID 155625599) has the molecular formula C35H36IrN10-6 and a molecular weight of 788.96 g/mol. Its IUPAC name is iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide.

Molecular Properties

• Compound Name: iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide
• PubChem CID: 155625599
• Molecular Formula: C35H36IrN10-6
• Molecular Weight: 788.96 g/mol
• Exact Mass: 789.28
• IUPAC Name: iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide
• SMILES: CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.[Ir].[c-]1ccncc1N1C=CN(CCCCN2C=CN(c3[c-]ccnc3)[CH-]2)[CH-]1
• InChI: InChI=1S/C20H20N6.C15H16N4.Ir/c1(9-23-11-13-25(17-23)19-5-3-7-21-15-19)2-10-24-12-14-26(18-24)20-6-4-8-22-16-20;1-11(2)12-5-4-6-13(9-12)19-10-18(3)14-15(19)17-8-7-16-14;/h3-4,7-8,11-18H,1-2,9-10H2;4-5,7-11H,1-3H3;/q-4;-2
• InChIKey: GGAWQOVZAJIKCS-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 71.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.96
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide?

The IUPAC name of iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide (CID 155625599) is iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide.

What is the SMILES notation for iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide?

The canonical SMILES for iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide is CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.[Ir].[c-]1ccncc1N1C=CN(CCCCN2C=CN(c3[c-]ccnc3)[CH-]2)[CH-]1.

What is the InChIKey of iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide?

The InChIKey is GGAWQOVZAJIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.C15H16N4.Ir/c1(9-23-11-13-25(17-23)19-5-3-7-21-15-19)2-10-24-12-14-26(18-24)20-6-4-8-22-16-20;1-11(2)12-5-4-6-13(9-12)19-10-18(3)14-15(19)17-8-7-16-14;/h3-4,7-8,11-18H,1-2,9-10H2;4-5,7-11H,1-3H3;/q-4;-2;.

What are the key properties of iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide?

iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide has a molecular weight of 788.96 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-[3-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-4H-pyridin-4-ide is sourced from PubChem (CID 155625599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).