3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine

C59H37N5 — CID 168835954

About 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine

3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835954) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 168835954
• Molecular Formula: C59H37N5
• Molecular Weight: 815.98 g/mol
• Exact Mass: 815.30
• IUPAC Name: 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C59H37N5/c1-3-16-40(17-4-1)55-54(60-53-28-13-14-35-64(53)55)39-31-29-38(30-32-39)42-20-15-21-43(36-42)57-61-56(41-18-5-2-6-19-41)62-58(63-57)44-33-34-48-47-24-9-12-27-51(47)59(52(48)37-44)49-25-10-7-22-45(49)46-23-8-11-26-50(46)59/h1-37H
• InChIKey: BBFALCDPEKXNFF-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.98
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (CID 168835954) is 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)c3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.

What is the InChIKey of 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is BBFALCDPEKXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-3-16-40(17-4-1)55-54(60-53-28-13-14-35-64(53)55)39-31-29-38(30-32-39)42-20-15-21-43(36-42)57-61-56(41-18-5-2-6-19-41)62-58(63-57)44-33-34-48-47-24-9-12-27-51(47)59(52(48)37-44)49-25-10-7-22-45(49)46-23-8-11-26-50(46)59/h1-37H.

What are the key properties of 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine?

3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 815.98 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).