iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C44H36GeIrN2S-2 — CID 166575203

About iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166575203) has the molecular formula C44H36GeIrN2S-2 and a molecular weight of 889.68 g/mol. Its IUPAC name is iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 166575203
• Molecular Formula: C44H36GeIrN2S-2
• Molecular Weight: 889.68 g/mol
• Exact Mass: 891.15
• IUPAC Name: iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)ncc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C30H20NS.C14H16GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)25-14-8-13-24-26-18-23(21-9-4-2-5-10-21)15-16-29(26)32-30(24)25;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-13,15-19H,1H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: KRBPNSXPEPWZJJ-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-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166575203) is iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)ncc1-c1ccccc1.[Ir].

What is the InChIKey of iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is KRBPNSXPEPWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20NS.C14H16GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)25-14-8-13-24-26-18-23(21-9-4-2-5-10-21)15-16-29(26)32-30(24)25;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-13,15-19H,1H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(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-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166575203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).