iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane

C62H56IrN2OSi-2 — CID 166573324

About iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane

iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 166573324) has the molecular formula C62H56IrN2OSi-2 and a molecular weight of 1065.45 g/mol. Its IUPAC name is iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

• Compound Name: iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane
• PubChem CID: 166573324
• Molecular Formula: C62H56IrN2OSi-2
• Molecular Weight: 1065.45 g/mol
• Exact Mass: 1065.38
• IUPAC Name: iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane
• SMILES: [CH2-]c1cc(-c2ccccc2)ccc1-c1cc(C)c([Si](C)(C)C)c[n+]1[CH2-].[CH2-]c1cc2oc3cc(-c4ccccc4-c4ccccc4)ccc3c2cc1-c1cc(C(C)c2ccccc2)cc[n+]1[CH2-].[Ir]
• InChI: InChI=1S/C39H30NO.C23H26NSi.Ir/c1-26-22-38-36(25-35(26)37-23-30(20-21-40(37)3)27(2)28-12-6-4-7-13-28)34-19-18-31(24-39(34)41-38)33-17-11-10-16-32(33)29-14-8-5-9-15-29;1-17-14-20(19-10-8-7-9-11-19)12-13-21(17)22-15-18(2)23(16-24(22)3)25(4,5)6;/h4-25,27H,1,3H2,2H3;7-16H,1,3H2,2,4-6H3;/q2*-1
• InChIKey: ZKZFXVQQIYYCSW-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 20.90 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.45
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane?

The IUPAC name of iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane (CID 166573324) is iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane.

What is the SMILES notation for iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane?

The canonical SMILES for iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane is [CH2-]c1cc(-c2ccccc2)ccc1-c1cc(C)c([Si](C)(C)C)c[n+]1[CH2-].[CH2-]c1cc2oc3cc(-c4ccccc4-c4ccccc4)ccc3c2cc1-c1cc(C(C)c2ccccc2)cc[n+]1[CH2-].[Ir].

What is the InChIKey of iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane?

The InChIKey is ZKZFXVQQIYYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30NO.C23H26NSi.Ir/c1-26-22-38-36(25-35(26)37-23-30(20-21-40(37)3)27(2)28-12-6-4-7-13-28)34-19-18-31(24-39(34)41-38)33-17-11-10-16-32(33)29-14-8-5-9-15-29;1-17-14-20(19-10-8-7-9-11-19)12-13-21(17)22-15-18(2)23(16-24(22)3)25(4,5)6;/h4-25,27H,1,3H2,2H3;7-16H,1,3H2,2,4-6H3;/q2*-1;.

What are the key properties of iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane?

iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 1065.45 g/mol, XLogP of 14.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-methanidyl-2-[3-methanidyl-7-(2-phenylphenyl)dibenzofuran-2-yl]-4-(1-phenylethyl)pyridin-1-ium;[1-methanidyl-6-(2-methanidyl-4-phenylphenyl)-4-methylpyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 166573324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).