2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

C51H31N3O — CID 176817925

About 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (PubChem CID 176817925) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
• PubChem CID: 176817925
• Molecular Formula: C51H31N3O
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.25
• IUPAC Name: 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc43)cc2)cc1
• InChI: InChI=1S/C51H31N3O/c1-2-11-32(12-3-1)35-21-25-36(26-22-35)41-19-10-20-44-45-31-46(42-17-8-9-18-43(42)48(45)55-47(41)44)51-53-49(39-27-23-33-13-4-6-15-37(33)29-39)52-50(54-51)40-28-24-34-14-5-7-16-38(34)30-40/h1-31H
• InChIKey: RHHNKPYCUZXVND-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?

The IUPAC name of 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (CID 176817925) is 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc43)cc2)cc1.

What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?

The InChIKey is RHHNKPYCUZXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-11-32(12-3-1)35-21-25-36(26-22-35)41-19-10-20-44-45-31-46(42-17-8-9-18-43(42)48(45)55-47(41)44)51-53-49(39-27-23-33-13-4-6-15-37(33)29-39)52-50(54-51)40-28-24-34-14-5-7-16-38(34)30-40/h1-31H.

What are the key properties of 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?

2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is sourced from PubChem (CID 176817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).