6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium

C50H53FGeIrN4O-2 — CID 156668772

About 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156668772) has the molecular formula C50H53FGeIrN4O-2 and a molecular weight of 1012.84 g/mol. Its IUPAC name is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156668772
• Molecular Formula: C50H53FGeIrN4O-2
• Molecular Weight: 1012.84 g/mol
• Exact Mass: 1014.32
• IUPAC Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CCc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc12.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Ge](C)(C)C)cn2)c1F.[Ir]
• InChI: InChI=1S/C32H30N3O.C18H23FGeN.Ir/c1-6-22-15-16-25-26-18-21(14-17-29(26)36-32(25)33-22)31-34-27-12-7-8-13-28(27)35(31)30-23(19(2)3)10-9-11-24(30)20(4)5;1-12(2)15-10-17(21-11-16(15)20(4,5)6)14-9-7-8-13(3)18(14)19;/h7-13,15-20H,6H2,1-5H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3
• InChIKey: REBHDMKEXKDAAE-UMJUAPLUSA-N
• XLogP: 13.26
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.84
LogP ≤ 5	13.26
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-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium (CID 156668772) is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium is CCc1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)cc12.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Ge](C)(C)C)cn2)c1F.[Ir].

What is the InChIKey of 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is REBHDMKEXKDAAE-UMJUAPLUSA-N. The full InChI is InChI=1S/C32H30N3O.C18H23FGeN.Ir/c1-6-22-15-16-25-26-18-21(14-17-29(26)36-32(25)33-22)31-34-27-12-7-8-13-28(27)35(31)30-23(19(2)3)10-9-11-24(30)20(4)5;1-12(2)15-10-17(21-11-16(15)20(4,5)6)14-9-7-8-13(3)18(14)19;/h7-13,15-20H,6H2,1-5H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium?

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1012.84 g/mol, XLogP of 13.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-ethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156668772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).