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

C45H46GeIrN2S-2 — CID 166574432

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

iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166574432) has the molecular formula C45H46GeIrN2S-2 and a molecular weight of 911.77 g/mol. Its IUPAC name is iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166574432
• Molecular Formula: C45H46GeIrN2S-2
• Molecular Weight: 911.77 g/mol
• Exact Mass: 913.22
• IUPAC Name: iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)(C)C(C)(C)c1ccnc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C30H28NS.C15H18GeN.Ir/c1-29(2,3)30(4,5)22-16-17-31-26(19-22)24-13-9-12-23-25-18-21(20-10-7-6-8-11-20)14-15-27(25)32-28(23)24;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h6-12,14-19H,1-5H3;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: YYACEVHNUGGZSD-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.77
LogP ≤ 5	12.31
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;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166574432) is iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

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

The canonical SMILES for iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is CC(C)(C)C(C)(C)c1ccnc(-c2[c-]ccc3c2sc2ccc(-c4ccccc4)cc23)c1.Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

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

The InChIKey is YYACEVHNUGGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28NS.C15H18GeN.Ir/c1-29(2,3)30(4,5)22-16-17-31-26(19-22)24-13-9-12-23-25-18-21(20-10-7-6-8-11-20)14-15-27(25)32-28(23)24;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h6-12,14-19H,1-5H3;5-8,10-11H,1-4H3;/q2*-1;.

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

iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 911.77 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166574432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).