2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C58H55FIrN4OSi-2 — CID 156667819

About 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156667819) has the molecular formula C58H55FIrN4OSi-2 and a molecular weight of 1063.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156667819
• Molecular Formula: C58H55FIrN4OSi-2
• Molecular Weight: 1063.41 g/mol
• Exact Mass: 1063.38
• IUPAC Name: 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3-c3ccc(C(C)C)cc3)[c-]cc(C)c12.[Ir]
• InChI: InChI=1S/C40H32N3O.C18H23FNSi.Ir/c1-23(2)27-14-17-29(18-15-27)43-37-30-12-7-6-11-28(30)16-21-34(37)41-39(43)32-19-13-26(5)36-31-20-22-33(42-40(31)44-38(32)36)35-24(3)9-8-10-25(35)4;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;/h6-18,20-23H,1-5H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1
• InChIKey: FDWQOCBQLRKJHC-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.41
LogP ≤ 5	15.09
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-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156667819) is 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Si](C)(C)C.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccc5ccccc5c4n3-c3ccc(C(C)C)cc3)[c-]cc(C)c12.[Ir].

What is the InChIKey of 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is FDWQOCBQLRKJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N3O.C18H23FNSi.Ir/c1-23(2)27-14-17-29(18-15-27)43-37-30-12-7-6-11-28(30)16-21-34(37)41-39(43)32-19-13-26(5)36-31-20-22-33(42-40(31)44-38(32)36)35-24(3)9-8-10-25(35)4;1-13(2)10-14-11-17(15-8-6-7-9-16(15)19)20-12-18(14)21(3,4)5;/h6-18,20-23H,1-5H3;6-7,9,11-13H,10H2,1-5H3;/q2*-1;.

What are the key properties of 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1063.41 g/mol, XLogP of 15.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-5-methyl-8-[1-(4-propan-2-ylphenyl)benzo[e]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156667819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).