3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine

C40H25N5S — CID 168835941

About 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine

3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835941) has the molecular formula C40H25N5S and a molecular weight of 607.74 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 168835941
• Molecular Formula: C40H25N5S
• Molecular Weight: 607.74 g/mol
• Exact Mass: 607.18
• IUPAC Name: 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccn5c4-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
• InChI: InChI=1S/C40H25N5S/c1-3-12-26(13-4-1)38-42-39(27-14-5-2-6-15-27)44-40(43-38)30-17-11-16-28(24-30)36-37(45-23-10-9-20-35(45)41-36)29-21-22-34-32(25-29)31-18-7-8-19-33(31)46-34/h1-25H
• InChIKey: LXMYBPVGODBGRQ-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 55.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.74
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine (CID 168835941) is 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccn5c4-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.

What is the InChIKey of 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine?

The InChIKey is LXMYBPVGODBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5S/c1-3-12-26(13-4-1)38-42-39(27-14-5-2-6-15-27)44-40(43-38)30-17-11-16-28(24-30)36-37(45-23-10-9-20-35(45)41-36)29-21-22-34-32(25-29)31-18-7-8-19-33(31)46-34/h1-25H.

What are the key properties of 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine?

3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 607.74 g/mol, XLogP of 10.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).