4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C37H25N3O — CID 142294091

About 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 142294091) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
• PubChem CID: 142294091
• Molecular Formula: C37H25N3O
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.20
• IUPAC Name: 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc7ccccc7c6c45)c3)N=C(c3ccccc3)N2)cc1
• InChI: InChI=1S/C37H25N3O/c1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)28-17-9-16-27(23-28)30-19-10-20-31-34(30)33-29-18-8-7-11-24(29)21-22-32(33)41-31/h1-23,37H,(H,38,39,40)
• InChIKey: IZFPDHAGHXXQOF-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 49.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?

The IUPAC name of 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 142294091) is 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

What is the SMILES notation for 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?

The canonical SMILES for 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc5oc6ccc7ccccc7c6c45)c3)N=C(c3ccccc3)N2)cc1.

What is the InChIKey of 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?

The InChIKey is IZFPDHAGHXXQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)28-17-9-16-27(23-28)30-19-10-20-31-34(30)33-29-18-8-7-11-24(29)21-22-32(33)41-31/h1-23,37H,(H,38,39,40).

What are the key properties of 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?

4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 527.63 g/mol, XLogP of 8.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 142294091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).