2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine

C49H32N6O2 — CID 155049857

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine (PubChem CID 155049857) has the molecular formula C49H32N6O2 and a molecular weight of 736.84 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 155049857
• Molecular Formula: C49H32N6O2
• Molecular Weight: 736.84 g/mol
• Exact Mass: 736.26
• IUPAC Name: 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
• SMILES: C=Cc1c(/C=C\C)oc2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)n3)c12
• InChI: InChI=1S/C49H32N6O2/c1-3-16-38-34(4-2)42-36(23-14-25-39(42)56-38)48-53-46(32-21-12-7-13-22-32)54-49(55-48)37-24-15-26-40-43(37)35-28-27-33(29-41(35)57-40)47-51-44(30-17-8-5-9-18-30)50-45(52-47)31-19-10-6-11-20-31/h3-29H,2H2,1H3/b16-3-
• InChIKey: ZSWLJQQADVHVMT-XFQLMFQHSA-N
• XLogP: 12.38
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.84
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine (CID 155049857) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine is C=Cc1c(/C=C\C)oc2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)n3)c12.

What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is ZSWLJQQADVHVMT-XFQLMFQHSA-N. The full InChI is InChI=1S/C49H32N6O2/c1-3-16-38-34(4-2)42-36(23-14-25-39(42)56-38)48-53-46(32-21-12-7-13-22-32)54-49(55-48)37-24-15-26-40-43(37)35-28-27-33(29-41(35)57-40)47-51-44(30-17-8-5-9-18-30)50-45(52-47)31-19-10-6-11-20-31/h3-29H,2H2,1H3/b16-3-.

What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine?

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 736.84 g/mol, XLogP of 12.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155049857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).