[4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium

C62H63IrN3OSi-2 — CID 166577638

About [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium

[4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium (PubChem CID 166577638) has the molecular formula C62H63IrN3OSi-2 and a molecular weight of 1086.51 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium.

Molecular Properties

• Compound Name: [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium
• PubChem CID: 166577638
• Molecular Formula: C62H63IrN3OSi-2
• Molecular Weight: 1086.51 g/mol
• Exact Mass: 1086.44
• IUPAC Name: [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium
• SMILES: [CH2-]c1cc(-c2ccccc2)c(C)cc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1[CH2-].[CH2-]c1cc2oc3cc(-c4cc(C)nc(C)c4)ccc3c2cc1-c1cc(C)c(-c2ccccc2)c[n+]1[CH2-].[Ir]
• InChI: InChI=1S/C33H27N2O.C29H36NSi.Ir/c1-20-13-31(35(5)19-30(20)24-9-7-6-8-10-24)28-18-29-27-12-11-25(26-15-22(3)34-23(4)16-26)17-33(27)36-32(29)14-21(28)2;1-21-17-27(22(2)16-26(21)24-14-8-7-9-15-24)28-19-25(18-23-12-10-11-13-23)29(20-30(28)3)31(4,5)6;/h6-19H,2,5H2,1,3-4H3;7-9,14-17,19-20,23H,2-3,10-13,18H2,1,4-6H3;/q2*-1
• InChIKey: ASLXHQILMPURBP-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 33.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.51
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium?

The IUPAC name of [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium (CID 166577638) is [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium.

What is the SMILES notation for [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium?

The canonical SMILES for [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium is [CH2-]c1cc(-c2ccccc2)c(C)cc1-c1cc(CC2CCCC2)c([Si](C)(C)C)c[n+]1[CH2-].[CH2-]c1cc2oc3cc(-c4cc(C)nc(C)c4)ccc3c2cc1-c1cc(C)c(-c2ccccc2)c[n+]1[CH2-].[Ir].

What is the InChIKey of [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium?

The InChIKey is ASLXHQILMPURBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N2O.C29H36NSi.Ir/c1-20-13-31(35(5)19-30(20)24-9-7-6-8-10-24)28-18-29-27-12-11-25(26-15-22(3)34-23(4)16-26)17-33(27)36-32(29)14-21(28)2;1-21-17-27(22(2)16-26(21)24-14-8-7-9-15-24)28-19-25(18-23-12-10-11-13-23)29(20-30(28)3)31(4,5)6;/h6-19H,2,5H2,1,3-4H3;7-9,14-17,19-20,23H,2-3,10-13,18H2,1,4-6H3;/q2*-1;.

What are the key properties of [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium?

[4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium has a molecular weight of 1086.51 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclopentylmethyl)-1-methanidyl-6-(2-methanidyl-5-methyl-4-phenylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;2-[7-(2,6-dimethyl-4-pyridinyl)-3-methanidyldibenzofuran-2-yl]-1-methanidyl-4-methyl-5-phenylpyridin-1-ium;iridium is sourced from PubChem (CID 166577638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).