2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium

C61H51FIrN4OSi-2 — CID 156671572

About 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium

2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156671572) has the molecular formula C61H51FIrN4OSi-2 and a molecular weight of 1100.44 g/mol. Its IUPAC name is 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156671572
• Molecular Formula: C61H51FIrN4OSi-2
• Molecular Weight: 1100.44 g/mol
• Exact Mass: 1100.38
• IUPAC Name: 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4c5ccccc5ccc4n3-c3c(C)cc4c(c3C)C(C)(C)c3ccccc3-4)[c-]ccc12.[Ir]
• InChI: InChI=1S/C46H34N3O.C15H17FNSi.Ir/c1-27-25-37-33-17-10-11-20-38(33)46(3,4)40(37)28(2)42(27)49-39-24-21-30-15-8-9-16-32(30)41(39)48-44(49)36-19-12-18-34-35-23-22-31(47-45(35)50-43(34)36)26-29-13-6-5-7-14-29;1-11-9-14(12-5-7-13(16)8-6-12)17-10-15(11)18(2,3)4;/h5-18,20-25H,26H2,1-4H3;5,7-10H,1-4H3;/q2*-1;/i26D2;1D3
• InChIKey: UEVLTSMSOKZTSZ-QIAWNGKDSA-N
• XLogP: 14.99
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1100.44
LogP ≤ 5	14.99
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 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156671572) is 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium is [2H]C([2H])([2H])c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4c5ccccc5ccc4n3-c3c(C)cc4c(c3C)C(C)(C)c3ccccc3-4)[c-]ccc12.[Ir].

What is the InChIKey of 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is UEVLTSMSOKZTSZ-QIAWNGKDSA-N. The full InChI is InChI=1S/C46H34N3O.C15H17FNSi.Ir/c1-27-25-37-33-17-10-11-20-38(33)46(3,4)40(37)28(2)42(27)49-39-24-21-30-15-8-9-16-32(30)41(39)48-44(49)36-19-12-18-34-35-23-22-31(47-45(35)50-43(34)36)26-29-13-6-5-7-14-29;1-11-9-14(12-5-7-13(16)8-6-12)17-10-15(11)18(2,3)4;/h5-18,20-25H,26H2,1-4H3;5,7-10H,1-4H3;/q2*-1;/i26D2;1D3;.

What are the key properties of 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium?

2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1100.44 g/mol, XLogP of 14.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[dideuterio(phenyl)methyl]-8-[3-(1,3,9,9-tetramethylfluoren-2-yl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156671572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).