3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine

C59H39N5 — CID 168835958

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

3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835958) has the molecular formula C59H39N5 and a molecular weight of 818.00 g/mol. Its IUPAC name is 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 168835958
• Molecular Formula: C59H39N5
• Molecular Weight: 818.00 g/mol
• Exact Mass: 817.32
• IUPAC Name: 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc6ccccn6c5-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc3)n2)cc1
• InChI: InChI=1S/C59H39N5/c1-5-18-41(19-6-1)56-61-57(42-20-7-2-8-21-42)63-58(62-56)43-33-31-40(32-34-43)44-22-17-23-45(38-44)54-55(64-37-16-15-30-53(64)60-54)46-35-36-50-49-28-13-14-29-51(49)59(52(50)39-46,47-24-9-3-10-25-47)48-26-11-4-12-27-48/h1-39H
• InChIKey: PCHYNPKEXZPLMI-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.00
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine (CID 168835958) is 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine.

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

The canonical SMILES for 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5nc6ccccn6c5-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc3)n2)cc1.

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

The InChIKey is PCHYNPKEXZPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5/c1-5-18-41(19-6-1)56-61-57(42-20-7-2-8-21-42)63-58(62-56)43-33-31-40(32-34-43)44-22-17-23-45(38-44)54-55(64-37-16-15-30-53(64)60-54)46-35-36-50-49-28-13-14-29-51(49)59(52(50)39-46,47-24-9-3-10-25-47)48-26-11-4-12-27-48/h1-39H.

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

3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 818.00 g/mol, XLogP of 13.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).