8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine

C40H26N4O — CID 166801704

About 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine

8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 166801704) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 166801704
• Molecular Formula: C40H26N4O
• Molecular Weight: 578.68 g/mol
• Exact Mass: 578.21
• IUPAC Name: 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
• SMILES: c1ccc(C2N=C(c3ccc(-c4ccc5ccccc5c4)c4oc5cnccc5c34)N=C(c3ccc4ccccc4c3)N2)cc1
• InChI: InChI=1S/C40H26N4O/c1-2-10-27(11-3-1)38-42-39(31-17-15-26-9-5-7-13-29(26)23-31)44-40(43-38)34-19-18-32(30-16-14-25-8-4-6-12-28(25)22-30)37-36(34)33-20-21-41-24-35(33)45-37/h1-24,38H,(H,42,43,44)
• InChIKey: DUDNIILXKPJTFD-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 62.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.68
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine (CID 166801704) is 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(C2N=C(c3ccc(-c4ccc5ccccc5c4)c4oc5cnccc5c34)N=C(c3ccc4ccccc4c3)N2)cc1.

What is the InChIKey of 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?

The InChIKey is DUDNIILXKPJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-2-10-27(11-3-1)38-42-39(31-17-15-26-9-5-7-13-29(26)23-31)44-40(43-38)34-19-18-32(30-16-14-25-8-4-6-12-28(25)22-30)37-36(34)33-20-21-41-24-35(33)45-37/h1-24,38H,(H,42,43,44).

What are the key properties of 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?

8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 578.68 g/mol, XLogP of 9.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166801704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).