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

C50H33N5 — CID 164781194

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

2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 164781194) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 164781194
• Molecular Formula: C50H33N5
• Molecular Weight: 703.85 g/mol
• Exact Mass: 703.27
• IUPAC Name: 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c(-c7cccc8ccccc78)nc7ccccn67)c5)c4)n3)cc2)cc1
• InChI: InChI=1S/C50H33N5/c1-3-14-34(15-4-1)35-27-29-38(30-28-35)49-52-48(37-17-5-2-6-18-37)53-50(54-49)42-23-12-21-40(33-42)39-20-11-22-41(32-39)47-46(51-45-26-9-10-31-55(45)47)44-25-13-19-36-16-7-8-24-43(36)44/h1-33H
• InChIKey: HKGBDMTVIJAEPJ-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.85
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine (CID 164781194) is 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine.

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

The canonical SMILES for 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c(-c7cccc8ccccc78)nc7ccccn67)c5)c4)n3)cc2)cc1.

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

The InChIKey is HKGBDMTVIJAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-3-14-34(15-4-1)35-27-29-38(30-28-35)49-52-48(37-17-5-2-6-18-37)53-50(54-49)42-23-12-21-40(33-42)39-20-11-22-41(32-39)47-46(51-45-26-9-10-31-55(45)47)44-25-13-19-36-16-7-8-24-43(36)44/h1-33H.

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

2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 703.85 g/mol, XLogP of 12.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 164781194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).