8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C64H58F2IrN4OSi-2 — CID 156672207

About 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156672207) has the molecular formula C64H58F2IrN4OSi-2 and a molecular weight of 1160.51 g/mol. Its IUPAC name is 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156672207
• Molecular Formula: C64H58F2IrN4OSi-2
• Molecular Weight: 1160.51 g/mol
• Exact Mass: 1160.42
• IUPAC Name: 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4c5ccc(F)cc5ccc4n3-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir]
• InChI: InChI=1S/C45H33FN3O.C19H25FNSi.Ir/c1-27-18-21-35-34-16-11-17-36(42(34)50-44(35)47-27)43-48-40-33-22-20-32(46)24-30(33)19-23-39(40)49(43)41-37(28-12-7-5-8-13-28)25-31(45(2,3)4)26-38(41)29-14-9-6-10-15-29;1-13(2)9-15-11-18(21-12-19(15)22(4,5)6)16-8-7-14(3)10-17(16)20;/h5-16,18-26H,1-4H3;7,10-13H,9H2,1-6H3;/q2*-1;/i;3D3
• InChIKey: ZSFZVVBWUKJPMY-UMJUAPLUSA-N
• XLogP: 16.76
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1160.51
LogP ≤ 5	16.76
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156672207) is 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is Cc1ccc2c(n1)oc1c(-c3nc4c5ccc(F)cc5ccc4n3-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c(F)c1.[Ir].

What is the InChIKey of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is ZSFZVVBWUKJPMY-UMJUAPLUSA-N. The full InChI is InChI=1S/C45H33FN3O.C19H25FNSi.Ir/c1-27-18-21-35-34-16-11-17-36(42(34)50-44(35)47-27)43-48-40-33-22-20-32(46)24-30(33)19-23-39(40)49(43)41-37(28-12-7-5-8-13-28)25-31(45(2,3)4)26-38(41)29-14-9-6-10-15-29;1-13(2)9-15-11-18(21-12-19(15)22(4,5)6)16-8-7-14(3)10-17(16)20;/h5-16,18-26H,1-4H3;7,10-13H,9H2,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1160.51 g/mol, XLogP of 16.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(4-tert-butyl-2,6-diphenylphenyl)-7-fluorobenzo[e]benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).