[4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C48H53GeIrN3O-2 — CID 162776695

About [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 162776695) has the molecular formula C48H53GeIrN3O-2 and a molecular weight of 952.80 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 162776695
• Molecular Formula: C48H53GeIrN3O-2
• Molecular Weight: 952.80 g/mol
• Exact Mass: 954.30
• IUPAC Name: [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: Cc1cc[c-]c(-c2cc(CC(C)(C)C)c([Ge](C)(C)C)cn2)c1.Cc1cnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)cc1CC(C)(C)C.[Ir]
• InChI: InChI=1S/C28H25N2O.C20H28GeN.Ir/c1-18-17-29-25(15-20(18)16-28(2,3)4)23-12-8-11-21-22-13-14-24(19-9-6-5-7-10-19)30-27(22)31-26(21)23;1-15-9-8-10-16(11-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h5-11,13-15,17H,16H2,1-4H3;8-9,11-12,14H,13H2,1-7H3;/q2*-1
• InChIKey: WNTIARRUPKWAJK-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.80
LogP ≤ 5	12.40
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 [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 162776695) is [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1cc[c-]c(-c2cc(CC(C)(C)C)c([Ge](C)(C)C)cn2)c1.Cc1cnc(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)cc1CC(C)(C)C.[Ir].

What is the InChIKey of [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is WNTIARRUPKWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2O.C20H28GeN.Ir/c1-18-17-29-25(15-20(18)16-28(2,3)4)23-12-8-11-21-22-13-14-24(19-9-6-5-7-10-19)30-27(22)31-26(21)23;1-15-9-8-10-16(11-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h5-11,13-15,17H,16H2,1-4H3;8-9,11-12,14H,13H2,1-7H3;/q2*-1;.

What are the key properties of [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 952.80 g/mol, XLogP of 12.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-dimethylpropyl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 162776695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).