2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C₅₂H₅₀GeIrN₂OS-2 — CID 155610948

About 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 155610948) has the molecular formula C₅₂H₅₀GeIrN₂OS-2 and a molecular weight of 1015.88 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 155610948
• Molecular Formula: C₅₂H₅₀GeIrN₂OS-2
• Molecular Weight: 1015.88 g/mol
• Exact Mass: 1017.25
• IUPAC Name: 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)C(C)c1ccnc(-c2[c-]cc3oc4cc(-c5cccc6c5sc5ccccc56)ccc4c3c2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C34H26NOS.C18H24GeN.Ir/c1-20(2)21(3)22-15-16-35-30(18-22)24-12-14-31-29(17-24)26-13-11-23(19-32(26)36-31)25-8-6-9-28-27-7-4-5-10-33(27)37-34(25)28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-11,13-21H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: XEFMLNOWXWPEHL-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.88
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 155610948) is 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)C(C)c1ccnc(-c2[c-]cc3oc4cc(-c5cccc6c5sc5ccccc56)ccc4c3c2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is XEFMLNOWXWPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26NOS.C18H24GeN.Ir/c1-20(2)21(3)22-15-16-35-30(18-22)24-12-14-31-29(17-24)26-13-11-23(19-32(26)36-31)25-8-6-9-28-27-7-4-5-10-33(27)37-34(25)28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-11,13-21H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1015.88 g/mol, XLogP of 14.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-dibenzothiophen-4-yl-3H-dibenzofuran-3-id-2-yl)-4-(3-methylbutan-2-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 155610948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155610948 — identifiers, structure, computed properties (public domain)

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