[2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium

C26H32IrN4Si-2 — CID 154618964

About [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium

[2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium (PubChem CID 154618964) has the molecular formula C26H32IrN4Si-2 and a molecular weight of 620.87 g/mol. Its IUPAC name is [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium
• PubChem CID: 154618964
• Molecular Formula: C26H32IrN4Si-2
• Molecular Weight: 620.87 g/mol
• Exact Mass: 621.20
• IUPAC Name: [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium
• SMILES: CC(C)(c1cnc2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1)C(C)(C)[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C26H32N4Si.Ir/c1-25(2,26(3,4)31(5,6)7)22-18-27-23-24(28-22)30(21-16-12-9-13-17-21)19-29(23)20-14-10-8-11-15-20;/h8-16,18-19H,1-7H3;/q-2
• InChIKey: VICLFXADCJHQSM-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.87
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium?

The IUPAC name of [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium (CID 154618964) is [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium.

What is the SMILES notation for [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium?

The canonical SMILES for [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium is CC(C)(c1cnc2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1)C(C)(C)[Si](C)(C)C.[Ir].

What is the InChIKey of [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium?

The InChIKey is VICLFXADCJHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4Si.Ir/c1-25(2,26(3,4)31(5,6)7)22-18-27-23-24(28-22)30(21-16-12-9-13-17-21)19-29(23)20-14-10-8-11-15-20;/h8-16,18-19H,1-7H3;/q-2;.

What are the key properties of [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium?

[2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium has a molecular weight of 620.87 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3-dimethyl-3-(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-id-5-yl)butan-2-yl]-trimethylsilane;iridium is sourced from PubChem (CID 154618964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).