[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium

C49H48GeIrN2O-2 — CID 176623987

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium (PubChem CID 176623987) has the molecular formula C49H48GeIrN2O-2 and a molecular weight of 950.79 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium
• PubChem CID: 176623987
• Molecular Formula: C49H48GeIrN2O-2
• Molecular Weight: 950.79 g/mol
• Exact Mass: 952.29
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)c([2H])c(C([2H])([2H])C(C)(C)C)c1-c1ccccc1.[Ir]
• InChI: InChI=1S/C32H26NO.C17H22GeN.Ir/c1-32(2,3)19-24-17-29(33-20-28(24)21-10-5-4-6-11-21)26-15-9-14-25-27-16-22-12-7-8-13-23(22)18-30(27)34-31(25)26;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h4-14,16-18,20H,19H2,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i17D,19D2,20D;13D
• InChIKey: OOHUBVPYXHLTKK-KPZBJJSUSA-N
• XLogP: 13.07
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.79
LogP ≤ 5	13.07
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-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium (CID 176623987) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]c1nc(-c2[c-]ccc3c2oc2cc4ccccc4cc23)c([2H])c(C([2H])([2H])C(C)(C)C)c1-c1ccccc1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium?

The InChIKey is OOHUBVPYXHLTKK-KPZBJJSUSA-N. The full InChI is InChI=1S/C32H26NO.C17H22GeN.Ir/c1-32(2,3)19-24-17-29(33-20-28(24)21-10-5-4-6-11-21)26-15-9-14-25-27-16-22-12-7-8-13-23(22)18-30(27)34-31(25)26;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h4-14,16-18,20H,19H2,1-3H3;6-9,11-13H,1-5H3;/q2*-1;/i17D,19D2,20D;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium has a molecular weight of 950.79 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2,5-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-3-phenylpyridine;iridium is sourced from PubChem (CID 176623987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).