4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane

C51H48GeIrN2O-2 — CID 166577428

About 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane

4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane (PubChem CID 166577428) has the molecular formula C51H48GeIrN2O-2 and a molecular weight of 969.78 g/mol. Its IUPAC name is 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane
• PubChem CID: 166577428
• Molecular Formula: C51H48GeIrN2O-2
• Molecular Weight: 969.78 g/mol
• Exact Mass: 971.26
• IUPAC Name: 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c3oc4cc(-c5ccccc5)cc(-c5ccccc5)c4c3cc2)c1.C[Ge](C)(C)c1ccc(-c2[c-]c3c(cc2)CCCC3)nc1.[Ir]
• InChI: InChI=1S/C33H26NO.C18H22GeN.Ir/c1-33(2,3)26-16-17-34-29(21-26)24-14-15-27-30(19-24)35-31-20-25(22-10-6-4-7-11-22)18-28(32(27)31)23-12-8-5-9-13-23;1-19(2,3)17-10-11-18(20-13-17)16-9-8-14-6-4-5-7-15(14)12-16;/h4-18,20-21H,1-3H3;8-11,13H,4-7H2,1-3H3;/q2*-1
• InChIKey: HBCZEJRRXGXYJL-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.78
LogP ≤ 5	13.05
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 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane?

The IUPAC name of 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane (CID 166577428) is 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane.

What is the SMILES notation for 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane?

The canonical SMILES for 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane is CC(C)(C)c1ccnc(-c2[c-]c3oc4cc(-c5ccccc5)cc(-c5ccccc5)c4c3cc2)c1.C[Ge](C)(C)c1ccc(-c2[c-]c3c(cc2)CCCC3)nc1.[Ir].

What is the InChIKey of 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane?

The InChIKey is HBCZEJRRXGXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26NO.C18H22GeN.Ir/c1-33(2,3)26-16-17-34-29(21-26)24-14-15-27-30(19-24)35-31-20-25(22-10-6-4-7-11-22)18-28(32(27)31)23-12-8-5-9-13-23;1-19(2,3)17-10-11-18(20-13-17)16-9-8-14-6-4-5-7-15(14)12-16;/h4-18,20-21H,1-3H3;8-11,13H,4-7H2,1-3H3;/q2*-1;.

What are the key properties of 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane?

4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane has a molecular weight of 969.78 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(7,9-diphenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-[6-(5,6,7,8-tetrahydro-1H-naphthalen-1-id-2-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166577428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).