3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine

C28H16F6N4Se2 — CID 139262365

About 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine

3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine (PubChem CID 139262365) has the molecular formula C28H16F6N4Se2 and a molecular weight of 680.37 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
• PubChem CID: 139262365
• Molecular Formula: C28H16F6N4Se2
• Molecular Weight: 680.37 g/mol
• Exact Mass: 681.96
• IUPAC Name: 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
• SMILES: FC(F)(F)c1ccc(-c2nc([Se][Se]c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)c3ccccn23)cc1
• InChI: InChI=1S/C28H16F6N4Se2/c29-27(30,31)19-11-7-17(8-12-19)23-35-25(21-5-1-3-15-37(21)23)39-40-26-22-6-2-4-16-38(22)24(36-26)18-9-13-20(14-10-18)28(32,33)34/h1-16H
• InChIKey: YGOSIIGBIMTNDU-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.37
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?

The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine (CID 139262365) is 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine.

What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?

The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine is FC(F)(F)c1ccc(-c2nc([Se][Se]c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)c3ccccn23)cc1.

What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?

The InChIKey is YGOSIIGBIMTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F6N4Se2/c29-27(30,31)19-11-7-17(8-12-19)23-35-25(21-5-1-3-15-37(21)23)39-40-26-22-6-2-4-16-38(22)24(36-26)18-9-13-20(14-10-18)28(32,33)34/h1-16H.

What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?

3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine has a molecular weight of 680.37 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(trifluoromethyl)phenyl]-1-[[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 139262365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).