2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C48H57IrN3OSi-2 — CID 155612745

About 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 155612745) has the molecular formula C48H57IrN3OSi-2 and a molecular weight of 912.31 g/mol. Its IUPAC name is 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 155612745
• Molecular Formula: C48H57IrN3OSi-2
• Molecular Weight: 912.31 g/mol
• Exact Mass: 912.39
• IUPAC Name: 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[Ir]
• InChI: InChI=1S/C27H29N2O.C21H28NSi.Ir/c1-27(2,3)24-13-12-21-20-10-7-11-22(25(20)30-26(21)29-24)23-17-19(14-15-28-23)16-18-8-5-4-6-9-18;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h7,10,12-15,17-18H,4-6,8-9,16H2,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1
• InChIKey: QRAWVKVQWYGSRG-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.31
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 155612745) is 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)c1ccc2c(n1)oc1c(-c3cc(CC4CCCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[Ir].

What is the InChIKey of 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is QRAWVKVQWYGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N2O.C21H28NSi.Ir/c1-27(2,3)24-13-12-21-20-10-7-11-22(25(20)30-26(21)29-24)23-17-19(14-15-28-23)16-18-8-5-4-6-9-18;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h7,10,12-15,17-18H,4-6,8-9,16H2,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;.

What are the key properties of 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 912.31 g/mol, XLogP of 12.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 155612745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).