[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C52H44IrN4OSi-2 — CID 156670916

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156670916) has the molecular formula C52H44IrN4OSi-2 and a molecular weight of 962.26 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 156670916
• Molecular Formula: C52H44IrN4OSi-2
• Molecular Weight: 962.26 g/mol
• Exact Mass: 962.30
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)ccc4ccccc34)[c-]ccc12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C35H22N3O.C17H22NSi.Ir/c1-22-18-20-28-27-14-9-15-29(33(27)39-35(28)36-22)34-37-30-16-7-8-17-31(30)38(34)32-25-13-6-5-12-24(25)19-21-26(32)23-10-3-2-4-11-23;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-14,16-21H,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: GACVMBIPZUYGCK-LTBAMTPYSA-N
• XLogP: 13.13
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.26
LogP ≤ 5	13.13
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 [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156670916) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)ccc4ccccc34)[c-]ccc12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is GACVMBIPZUYGCK-LTBAMTPYSA-N. The full InChI is InChI=1S/C35H22N3O.C17H22NSi.Ir/c1-22-18-20-28-27-14-9-15-29(33(27)39-35(28)36-22)34-37-30-16-7-8-17-31(30)38(34)32-25-13-6-5-12-24(25)19-21-26(32)23-10-3-2-4-11-23;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-14,16-21H,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 962.26 g/mol, XLogP of 13.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).