[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C44H50GeIrN4O-2 — CID 176643934

About [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 176643934) has the molecular formula C44H50GeIrN4O-2 and a molecular weight of 917.75 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 176643934
• Molecular Formula: C44H50GeIrN4O-2
• Molecular Weight: 917.75 g/mol
• Exact Mass: 919.30
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C22H32GeN.C22H18N3O.Ir/c1-16(2)12-18-14-21(24-15-20(18)23(6,7)8)17-10-9-11-19(13-17)22(3,4)5;1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;/h9,11,13-16H,12H2,1-8H3;4-7,9-13H,1-3H3;/q2*-1;/i12D2
• InChIKey: OUXALAGZYGSPHJ-ZGJYSPQCSA-N
• XLogP: 11.27
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.75
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 176643934) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Ge](C)(C)C)C(C)C.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is OUXALAGZYGSPHJ-ZGJYSPQCSA-N. The full InChI is InChI=1S/C22H32GeN.C22H18N3O.Ir/c1-16(2)12-18-14-21(24-15-20(18)23(6,7)8)17-10-9-11-19(13-17)22(3,4)5;1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;/h9,11,13-16H,12H2,1-8H3;4-7,9-13H,1-3H3;/q2*-1;/i12D2;;.

What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 917.75 g/mol, XLogP of 11.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 176643934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).