2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane

C45H31N3O3 — CID 146541695

About 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane

2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane (PubChem CID 146541695) has the molecular formula C45H31N3O3 and a molecular weight of 661.76 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
• PubChem CID: 146541695
• Molecular Formula: C45H31N3O3
• Molecular Weight: 661.76 g/mol
• Exact Mass: 661.24
• IUPAC Name: 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
• SMILES: c1ccc(C2NC(c3ccc4c(c3)oc3ccccc34)NC(c3cccc4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)N2)cc1
• InChI: InChI=1S/C45H31N3O3/c1-2-10-26(11-3-1)43-46-44(28-20-22-32-30-12-4-6-18-37(30)50-40(32)25-28)48-45(47-43)35-17-9-16-34-33-15-8-14-29(41(33)51-42(34)35)27-21-23-39-36(24-27)31-13-5-7-19-38(31)49-39/h1-25,43-48H
• InChIKey: QFLVSSXXXPJZPB-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 75.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.76
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?

The IUPAC name of 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane (CID 146541695) is 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?

The canonical SMILES for 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane is c1ccc(C2NC(c3ccc4c(c3)oc3ccccc34)NC(c3cccc4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)N2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?

The InChIKey is QFLVSSXXXPJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O3/c1-2-10-26(11-3-1)43-46-44(28-20-22-32-30-12-4-6-18-37(30)50-40(32)25-28)48-45(47-43)35-17-9-16-34-33-15-8-14-29(41(33)51-42(34)35)27-21-23-39-36(24-27)31-13-5-7-19-38(31)49-39/h1-25,43-48H.

What are the key properties of 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?

2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane has a molecular weight of 661.76 g/mol, XLogP of 11.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane is sourced from PubChem (CID 146541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).