6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C46H35FIrN4O-2 — CID 169301460

About 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 169301460) has the molecular formula C46H35FIrN4O-2 and a molecular weight of 880.08 g/mol. Its IUPAC name is 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

• Compound Name: 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• PubChem CID: 169301460
• Molecular Formula: C46H35FIrN4O-2
• Molecular Weight: 880.08 g/mol
• Exact Mass: 880.30
• IUPAC Name: 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• SMILES: Fc1c[c-]c2c(c1)c1ccccc1n1ccnc21.[2H]c1cc(C([2H])([2H])C(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2cc(C#N)ccc23)ncc1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C31H27N2O.C15H8FN2.Ir/c1-19-13-21(16-31(3,4)5)9-11-23(19)27-15-28(33-18-20(27)2)26-8-6-7-25-24-12-10-22(17-32)14-29(24)34-30(25)26;16-10-5-6-12-13(9-10)11-3-1-2-4-14(11)18-8-7-17-15(12)18;/h6-7,9-15,18H,16H2,1-5H3;1-5,7-9H;/q2*-1;/i1D3,2D3,11D,16D2
• InChIKey: BKCFCFRHSWHKKE-IAWGYQFOSA-N
• XLogP: 11.77
• TPSA: 67.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.08
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The IUPAC name of 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 169301460) is 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

What is the SMILES notation for 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The canonical SMILES for 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Fc1c[c-]c2c(c1)c1ccccc1n1ccnc21.[2H]c1cc(C([2H])([2H])C(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2cc(C#N)ccc23)ncc1C([2H])([2H])[2H].[Ir].

What is the InChIKey of 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The InChIKey is BKCFCFRHSWHKKE-IAWGYQFOSA-N. The full InChI is InChI=1S/C31H27N2O.C15H8FN2.Ir/c1-19-13-21(16-31(3,4)5)9-11-23(19)27-15-28(33-18-20(27)2)26-8-6-7-25-24-12-10-22(17-32)14-29(24)34-30(25)26;16-10-5-6-12-13(9-10)11-3-1-2-4-14(11)18-8-7-17-15(12)18;/h6-7,9-15,18H,16H2,1-5H3;1-5,7-9H;/q2*-1;/i1D3,2D3,11D,16D2;;.

What are the key properties of 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 880.08 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 169301460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).