2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

C45H27N3O — CID 146663712

About 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 146663712) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 146663712
• Molecular Formula: C45H27N3O
• Molecular Weight: 625.73 g/mol
• Exact Mass: 625.22
• IUPAC Name: 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)cccc34)n2)cc1
• InChI: InChI=1S/C45H27N3O/c1-2-12-29(13-3-1)43-46-44(37-21-8-16-28-11-6-7-17-33(28)37)48-45(47-43)38-22-10-19-35-34(18-9-20-36(35)38)32-23-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41/h1-27H
• InChIKey: HWTNIPCRECFDMY-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.73
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 146663712) is 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)cccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is HWTNIPCRECFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-12-29(13-3-1)43-46-44(37-21-8-16-28-11-6-7-17-33(28)37)48-45(47-43)38-22-10-19-35-34(18-9-20-36(35)38)32-23-24-41-39(26-32)40-25-30-14-4-5-15-31(30)27-42(40)49-41/h1-27H.

What are the key properties of 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?

2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146663712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).