2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

C57H35N3O2 — CID 167007600

About 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 167007600) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 167007600
• Molecular Formula: C57H35N3O2
• Molecular Weight: 793.93 g/mol
• Exact Mass: 793.27
• IUPAC Name: 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: C1=Cc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccc(-c8cccc9ccccc89)cc7c56)c5ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)ccc2CC1
• InChI: InChI=1S/C57H35N3O2/c1-2-14-36-32-38(27-26-34(36)12-1)55-58-56(60-57(59-55)47-22-11-25-52-54(47)46-19-7-8-23-49(46)61-52)45-30-29-43(41-17-5-6-18-42(41)45)44-21-10-24-51-53(44)48-33-37(28-31-50(48)62-51)40-20-9-15-35-13-3-4-16-39(35)40/h2-11,13-33H,1,12H2
• InChIKey: KDZJTGSRBHQQMC-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.93
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (CID 167007600) is 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is C1=Cc2cc(-c3nc(-c4ccc(-c5cccc6oc7ccc(-c8cccc9ccccc89)cc7c56)c5ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)ccc2CC1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is KDZJTGSRBHQQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-2-14-36-32-38(27-26-34(36)12-1)55-58-56(60-57(59-55)47-22-11-25-52-54(47)46-19-7-8-23-49(46)61-52)45-30-29-43(41-17-5-6-18-42(41)45)44-21-10-24-51-53(44)48-33-37(28-31-50(48)62-51)40-20-9-15-35-13-3-4-16-39(35)40/h2-11,13-33H,1,12H2.

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

2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167007600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).