8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C52H50GeIrN4O-2 — CID 156671803

About 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 156671803) has the molecular formula C52H50GeIrN4O-2 and a molecular weight of 1015.85 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 156671803
• Molecular Formula: C52H50GeIrN4O-2
• Molecular Weight: 1015.85 g/mol
• Exact Mass: 1017.31
• IUPAC Name: 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: [2H]C(C)(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3-c3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C37H32N3O.C15H18GeN.Ir/c1-23(2)30-20-19-27-26-14-11-15-28(34(26)41-36(27)39-30)35-38-31-16-9-10-17-33(31)40(35)32-21-18-25(37(3,4)5)22-29(32)24-12-7-6-8-13-24;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-14,16-23H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;/i23D;1D3
• InChIKey: UFVNSESDJGNQMX-SQTCMVTBSA-N
• XLogP: 13.27
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.85
LogP ≤ 5	13.27
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 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 156671803) is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is [2H]C(C)(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3-c3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is UFVNSESDJGNQMX-SQTCMVTBSA-N. The full InChI is InChI=1S/C37H32N3O.C15H18GeN.Ir/c1-23(2)30-20-19-27-26-14-11-15-28(34(26)41-36(27)39-30)35-38-31-16-9-10-17-33(31)40(35)32-21-18-25(37(3,4)5)22-29(32)24-12-7-6-8-13-24;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-14,16-23H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;/i23D;1D3;.

What are the key properties of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 1015.85 g/mol, XLogP of 13.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2-deuteriopropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 156671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).