6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C48H30N4O — CID 157091257

About 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 157091257) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 157091257
• Molecular Formula: C48H30N4O
• Molecular Weight: 678.80 g/mol
• Exact Mass: 678.24
• IUPAC Name: 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5c7ccccc7oc65)c4)n3)cc2)cc1
• InChI: InChI=1S/C48H30N4O/c1-4-13-31(14-5-1)32-23-25-35(26-24-32)47-50-46(34-17-8-3-9-18-34)51-48(52-47)38-20-12-19-36(29-38)37-27-28-39-41(30-37)49-44(33-15-6-2-7-16-33)43-40-21-10-11-22-42(40)53-45(39)43/h1-30H
• InChIKey: GZNKMOCJDKEVAU-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.80
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 157091257) is 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

What is the SMILES notation for 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The canonical SMILES for 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5c7ccccc7oc65)c4)n3)cc2)cc1.

What is the InChIKey of 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The InChIKey is GZNKMOCJDKEVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-4-13-31(14-5-1)32-23-25-35(26-24-32)47-50-46(34-17-8-3-9-18-34)51-48(52-47)38-20-12-19-36(29-38)37-27-28-39-41(30-37)49-44(33-15-6-2-7-16-33)43-40-21-10-11-22-42(40)53-45(39)43/h1-30H.

What are the key properties of 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 678.80 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 157091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).