1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline

C56H37N5 — CID 155158969

About 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline

1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 155158969) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

• Compound Name: 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
• PubChem CID: 155158969
• Molecular Formula: C56H37N5
• Molecular Weight: 779.95 g/mol
• Exact Mass: 779.30
• IUPAC Name: 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)cc4)n3)c2)cc1
• InChI: InChI=1S/C56H37N5/c1-5-16-38(17-6-1)46-24-15-25-47(36-46)56-59-54(44-22-11-4-12-23-44)58-55(60-56)45-34-30-40(31-35-45)39-28-32-42(33-29-39)51-48-26-13-14-27-49(48)53-50(41-18-7-2-8-19-41)37-57-61(53)52(51)43-20-9-3-10-21-43/h1-37H
• InChIKey: LHECVOBFKXCDOE-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.95
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline (CID 155158969) is 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline.

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

The canonical SMILES for 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)cc4)n3)c2)cc1.

What is the InChIKey of 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline?

The InChIKey is LHECVOBFKXCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-5-16-38(17-6-1)46-24-15-25-47(36-46)56-59-54(44-22-11-4-12-23-44)58-55(60-56)45-34-30-40(31-35-45)39-28-32-42(33-29-39)51-48-26-13-14-27-49(48)53-50(41-18-7-2-8-19-41)37-57-61(53)52(51)43-20-9-3-10-21-43/h1-37H.

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

1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 779.95 g/mol, XLogP of 14.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).