iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

C46H40GeIrN2S-2 — CID 166574198

About iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166574198) has the molecular formula C46H40GeIrN2S-2 and a molecular weight of 917.73 g/mol. Its IUPAC name is iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166574198
• Molecular Formula: C46H40GeIrN2S-2
• Molecular Weight: 917.73 g/mol
• Exact Mass: 919.18
• IUPAC Name: iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3sc4cccc(-c5ccccc5)c4c3c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir]
• InChI: InChI=1S/C26H20NS.C20H20GeN.Ir/c1-17(2)19-13-14-27-23(16-19)20-11-12-24-22(15-20)26-21(9-6-10-25(26)28-24)18-7-4-3-5-8-18;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h3-10,12-17H,1-2H3;4-10,12-15H,1-3H3;/q2*-1
• InChIKey: DXBQOIYFFJKVAW-UHFFFAOYSA-N
• XLogP: 12.47
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.73
LogP ≤ 5	12.47
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-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166574198) is iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is CC(C)c1ccnc(-c2[c-]cc3sc4cccc(-c5ccccc5)c4c3c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].

What is the InChIKey of iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is DXBQOIYFFJKVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NS.C20H20GeN.Ir/c1-17(2)19-13-14-27-23(16-19)20-11-12-24-22(15-20)26-21(9-6-10-25(26)28-24)18-7-4-3-5-8-18;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h3-10,12-17H,1-2H3;4-10,12-15H,1-3H3;/q2*-1;.

What are the key properties of iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 917.73 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166574198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).