[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C51H48GeIrN4O-2 — CID 156668965

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156668965) has the molecular formula C51H48GeIrN4O-2 and a molecular weight of 1002.83 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 156668965
• Molecular Formula: C51H48GeIrN4O-2
• Molecular Weight: 1002.83 g/mol
• Exact Mass: 1004.30
• IUPAC Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3cccc(-c4ccccc4)c3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C31H20N3O.C20H28GeN.Ir/c1-20-17-18-25-24-13-8-14-26(29(24)35-31(25)32-20)30-33-27-15-5-6-16-28(27)34(30)23-12-7-11-22(19-23)21-9-3-2-4-10-21;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h2-13,15-19H,1H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2
• InChIKey: FESJZIIJVPRJBT-MFXDLXTISA-N
• XLogP: 12.75
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.83
LogP ≤ 5	12.75
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 [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156668965) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

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

The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3cccc(-c4ccccc4)c3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].

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

The InChIKey is FESJZIIJVPRJBT-MFXDLXTISA-N. The full InChI is InChI=1S/C31H20N3O.C20H28GeN.Ir/c1-20-17-18-25-24-13-8-14-26(29(24)35-31(25)32-20)30-33-27-15-5-6-16-28(27)34(30)23-12-7-11-22(19-23)21-9-3-2-4-10-21;1-15-8-10-16(11-9-15)19-12-17(13-20(2,3)4)18(14-22-19)21(5,6)7;/h2-13,15-19H,1H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;.

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

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 1002.83 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(3-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156668965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).