iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane

C46H48GeIrN2O-2 — CID 166574458

About iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane

iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane (PubChem CID 166574458) has the molecular formula C46H48GeIrN2O-2 and a molecular weight of 909.73 g/mol. Its IUPAC name is iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane.

Molecular Properties

• Compound Name: iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
• PubChem CID: 166574458
• Molecular Formula: C46H48GeIrN2O-2
• Molecular Weight: 909.73 g/mol
• Exact Mass: 911.26
• IUPAC Name: iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
• SMILES: [CH2-]c1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(C(C)C(C)C)cc[n+]1[CH2-].[CH2-]c1ccccc1-c1ccc([Ge](C)(C)C)c[n+]1[CH2-].[Ir]
• InChI: InChI=1S/C30H28NO.C16H20GeN.Ir/c1-19(2)21(4)23-15-16-31(5)27(18-23)29-20(3)11-13-25-26-17-24(22-9-7-6-8-10-22)12-14-28(26)32-30(25)29;1-13-8-6-7-9-15(13)16-11-10-14(12-18(16)5)17(2,3)4;/h6-19,21H,3,5H2,1-2,4H3;6-12H,1,5H2,2-4H3;/q2*-1
• InChIKey: FXTZYEZJVALTDV-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 20.90 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.73
LogP ≤ 5	10.79
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?

The IUPAC name of iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane (CID 166574458) is iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane.

What is the SMILES notation for iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?

The canonical SMILES for iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane is [CH2-]c1ccc2c(oc3ccc(-c4ccccc4)cc32)c1-c1cc(C(C)C(C)C)cc[n+]1[CH2-].[CH2-]c1ccccc1-c1ccc([Ge](C)(C)C)c[n+]1[CH2-].[Ir].

What is the InChIKey of iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?

The InChIKey is FXTZYEZJVALTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28NO.C16H20GeN.Ir/c1-19(2)21(4)23-15-16-31(5)27(18-23)29-20(3)11-13-25-26-17-24(22-9-7-6-8-10-22)12-14-28(26)32-30(25)29;1-13-8-6-7-9-15(13)16-11-10-14(12-18(16)5)17(2,3)4;/h6-19,21H,3,5H2,1-2,4H3;6-12H,1,5H2,2-4H3;/q2*-1;.

What are the key properties of iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane?

iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane has a molecular weight of 909.73 g/mol, XLogP of 10.79, 6 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-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane is sourced from PubChem (CID 166574458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).