iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane

C44H46GeIrN2OSi-2 — CID 166576060

About iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane

iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane (PubChem CID 166576060) has the molecular formula C44H46GeIrN2OSi-2 and a molecular weight of 911.78 g/mol. Its IUPAC name is iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane.

Molecular Properties

• Compound Name: iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
• PubChem CID: 166576060
• Molecular Formula: C44H46GeIrN2OSi-2
• Molecular Weight: 911.78 g/mol
• Exact Mass: 913.22
• IUPAC Name: iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc([Si](C)(C)C)cc4)ccc23)c1.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C29H28NOSi.C15H18GeN.Ir/c1-19(2)21-15-16-30-27(17-21)26-8-6-7-25-24-14-11-22(18-28(24)31-29(25)26)20-9-12-23(13-10-20)32(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-7,9-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: SIEAZQVLILULKD-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.78
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane?

The IUPAC name of iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane (CID 166576060) is iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane.

What is the SMILES notation for iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane?

The canonical SMILES for iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc([Si](C)(C)C)cc4)ccc23)c1.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane?

The InChIKey is SIEAZQVLILULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28NOSi.C15H18GeN.Ir/c1-19(2)21-15-16-30-27(17-21)26-8-6-7-25-24-14-11-22(18-28(24)31-29(25)26)20-9-12-23(13-10-20)32(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-7,9-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane?

iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane has a molecular weight of 911.78 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane is sourced from PubChem (CID 166576060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).