2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine

C59H37N3O2 — CID 167007621

About 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine

2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 167007621) has the molecular formula C59H37N3O2 and a molecular weight of 819.96 g/mol. Its IUPAC name is 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
• PubChem CID: 167007621
• Molecular Formula: C59H37N3O2
• Molecular Weight: 819.96 g/mol
• Exact Mass: 819.29
• IUPAC Name: 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
• SMILES: C1=CCCC(c2ccc(-c3ccc4oc5cccc(-c6ccc7ccc(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)cc7c6)c5c4c3)cc2)=C1
• InChI: InChI=1S/C59H37N3O2/c1-2-10-36(11-3-1)38-20-22-39(23-21-38)42-30-31-52-50(35-42)55-47(15-8-18-53(55)64-52)43-27-24-40-26-29-45(34-46(40)33-43)58-60-57(44-28-25-37-12-4-5-13-41(37)32-44)61-59(62-58)49-16-9-19-54-56(49)48-14-6-7-17-51(48)63-54/h1-2,4-10,12-35H,3,11H2
• InChIKey: TZLDHIZCCYQSFX-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.96
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?

The IUPAC name of 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 167007621) is 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine is C1=CCCC(c2ccc(-c3ccc4oc5cccc(-c6ccc7ccc(-c8nc(-c9ccc%10ccccc%10c9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)cc7c6)c5c4c3)cc2)=C1.

What is the InChIKey of 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?

The InChIKey is TZLDHIZCCYQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O2/c1-2-10-36(11-3-1)38-20-22-39(23-21-38)42-30-31-52-50(35-42)55-47(15-8-18-53(55)64-52)43-27-24-40-26-29-45(34-46(40)33-43)58-60-57(44-28-25-37-12-4-5-13-41(37)32-44)61-59(62-58)49-16-9-19-54-56(49)48-14-6-7-17-51(48)63-54/h1-2,4-10,12-35H,3,11H2.

What are the key properties of 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine?

2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 819.96 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 167007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).