iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

C51H42GeIrN2S-2 — CID 166575009

About iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166575009) has the molecular formula C51H42GeIrN2S-2 and a molecular weight of 982.82 g/mol. Its IUPAC name is iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166575009
• Molecular Formula: C51H42GeIrN2S-2
• Molecular Weight: 982.82 g/mol
• Exact Mass: 984.21
• IUPAC Name: iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2sc2cc(-c4ccccc4)ccc23)ncc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C30H20NS.C21H22GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)26-14-8-13-25-24-16-15-23(18-29(24)32-30(25)26)21-9-4-2-5-10-21;1-16-13-21(23-15-20(16)22(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h2-13,15-19H,1H3;5-11,13-15H,1-4H3;/q2*-1;/i1D3
• InChIKey: MTCROZUWZBNDJD-GXXYEPOPSA-N
• XLogP: 13.63
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.82
LogP ≤ 5	13.63
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;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166575009) is iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2sc2cc(-c4ccccc4)ccc23)ncc1-c1ccccc1.[Ir].

What is the InChIKey of iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is MTCROZUWZBNDJD-GXXYEPOPSA-N. The full InChI is InChI=1S/C30H20NS.C21H22GeN.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)26-14-8-13-25-24-16-15-23(18-29(24)32-30(25)26)21-9-4-2-5-10-21;1-16-13-21(23-15-20(16)22(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h2-13,15-19H,1H3;5-11,13-15H,1-4H3;/q2*-1;/i1D3;;.

What are the key properties of iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 982.82 g/mol, XLogP of 13.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;5-phenyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(trideuteriomethyl)pyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166575009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).