iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane

C58H48GeIrN4O2-2 — CID 169322324

About iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 169322324) has the molecular formula C58H48GeIrN4O2-2 and a molecular weight of 1097.87 g/mol. Its IUPAC name is iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 169322324
• Molecular Formula: C58H48GeIrN4O2-2
• Molecular Weight: 1097.87 g/mol
• Exact Mass: 1099.26
• IUPAC Name: iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)c1cc2c(oc3cc(-c4ccccc4)ccc32)c(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C#N)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C44H32N3O2.C14H16GeN.Ir/c1-25(2)34-23-35-31-20-18-29(28-11-6-5-7-12-28)22-39(31)49-43(35)40(26(3)4)41(34)47-37-16-9-8-15-36(37)46-44(47)33-14-10-13-32-30-19-17-27(24-45)21-38(30)48-42(32)33;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-13,15-23,25-26H,1-4H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: IYRGWDHTDIQPIX-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 80.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.87
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 169322324) is iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)c1cc2c(oc3cc(-c4ccccc4)ccc32)c(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C#N)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is IYRGWDHTDIQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N3O2.C14H16GeN.Ir/c1-25(2)34-23-35-31-20-18-29(28-11-6-5-7-12-28)22-39(31)49-43(35)40(26(3)4)41(34)47-37-16-9-8-15-36(37)46-44(47)33-14-10-13-32-30-19-17-27(24-45)21-38(30)48-42(32)33;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-13,15-23,25-26H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1097.87 g/mol, XLogP of 15.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;6-[1-[7-phenyl-2,4-di(propan-2-yl)dibenzofuran-3-yl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 169322324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).