iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C44H36GeIrN2S-2 — CID 166575307

About iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166575307) has the molecular formula C44H36GeIrN2S-2 and a molecular weight of 889.68 g/mol. Its IUPAC name is iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166575307
• Molecular Formula: C44H36GeIrN2S-2
• Molecular Weight: 889.68 g/mol
• Exact Mass: 891.15
• IUPAC Name: iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(sc3c(-c4ccccc4)cccc32)c1-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C29H18NS.C15H18GeN.Ir/c1-3-9-20(10-4-1)22-17-18-30-27(19-22)26-16-8-15-25-24-14-7-13-23(28(24)31-29(25)26)21-11-5-2-6-12-21;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-15,17-19H;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: TYLGIRLZPJFTNK-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.68
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166575307) is iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(sc3c(-c4ccccc4)cccc32)c1-c1cc(-c2ccccc2)ccn1.

What is the InChIKey of iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is TYLGIRLZPJFTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18NS.C15H18GeN.Ir/c1-3-9-20(10-4-1)22-17-18-30-27(19-22)26-16-8-15-25-24-14-7-13-23(28(24)31-29(25)26)21-11-5-2-6-12-21;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-15,17-19H;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 889.68 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-phenyl-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166575307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).