2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone

C55H54N2Se — CID 169180747

About 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone

2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone (PubChem CID 169180747) has the molecular formula C55H54N2Se and a molecular weight of 822.01 g/mol. Its IUPAC name is 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone.

Molecular Properties

• Compound Name: 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone
• PubChem CID: 169180747
• Molecular Formula: C55H54N2Se
• Molecular Weight: 822.01 g/mol
• Exact Mass: 822.35
• IUPAC Name: 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone
• SMILES: Cc1cc(C(c2ccccc2)c2ccccc2)c(-n2cc3cccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)n3c2=[Se])c(C(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C55H54N2Se/c1-36(2)44-33-46(37(3)4)53(47(34-44)38(5)6)50-30-20-29-45-35-56(55(58)57(45)50)54-48(51(40-21-12-8-13-22-40)41-23-14-9-15-24-41)31-39(7)32-49(54)52(42-25-16-10-17-26-42)43-27-18-11-19-28-43/h8-38,51-52H,1-7H3
• InChIKey: AVPDJJRDJDHEIS-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 9.34 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.01
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone?

The IUPAC name of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone (CID 169180747) is 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone.

What is the SMILES notation for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone?

The canonical SMILES for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone is Cc1cc(C(c2ccccc2)c2ccccc2)c(-n2cc3cccc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)n3c2=[Se])c(C(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone?

The InChIKey is AVPDJJRDJDHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N2Se/c1-36(2)44-33-46(37(3)4)53(47(34-44)38(5)6)50-30-20-29-45-35-56(55(58)57(45)50)54-48(51(40-21-12-8-13-22-40)41-23-14-9-15-24-41)31-39(7)32-49(54)52(42-25-16-10-17-26-42)43-27-18-11-19-28-43/h8-38,51-52H,1-7H3.

What are the key properties of 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone?

2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone has a molecular weight of 822.01 g/mol, XLogP of 14.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dibenzhydryl-4-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]imidazo[1,5-a]pyridine-3-selone is sourced from PubChem (CID 169180747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).