2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

C53H33N3O2 — CID 170145316

About 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170145316) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 170145316
• Molecular Formula: C53H33N3O2
• Molecular Weight: 743.87 g/mol
• Exact Mass: 743.26
• IUPAC Name: 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(C5Cc6oc7ccccc7c6-c6ccccc65)c5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C53H33N3O2/c1-2-12-32(13-3-1)34-22-25-35(26-23-34)51-54-52(37-27-24-33-14-4-5-15-36(33)30-37)56-53(55-51)43-29-28-40(50-49(43)42-19-9-11-21-46(42)58-50)44-31-47-48(39-17-7-6-16-38(39)44)41-18-8-10-20-45(41)57-47/h1-30,44H,31H2
• InChIKey: ALAFELGTFWVAQN-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.87
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170145316) is 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(C5Cc6oc7ccccc7c6-c6ccccc65)c5oc6ccccc6c45)n3)cc2)cc1.

What is the InChIKey of 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is ALAFELGTFWVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-12-32(13-3-1)34-22-25-35(26-23-34)51-54-52(37-27-24-33-14-4-5-15-36(33)30-37)56-53(55-51)43-29-28-40(50-49(43)42-19-9-11-21-46(42)58-50)44-31-47-48(39-17-7-6-16-38(39)44)41-18-8-10-20-45(41)57-47/h1-30,44H,31H2.

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

2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170145316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).