4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

C43H27N3O2 — CID 170249185

About 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170249185) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
• PubChem CID: 170249185
• Molecular Formula: C43H27N3O2
• Molecular Weight: 617.71 g/mol
• Exact Mass: 617.21
• IUPAC Name: 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3ccc4oc5ccccc5c4c3)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1
• InChI: InChI=1S/C43H27N3O2/c1-2-10-27(11-3-1)41-44-42(31-20-22-37-35(24-31)32-13-6-7-15-36(32)47-37)46-43(45-41)34-14-8-16-38-40(34)33-21-19-30(25-39(33)48-38)29-18-17-26-9-4-5-12-28(26)23-29/h1-25,42H,(H,44,45,46)
• InChIKey: QWRQPOMXEJFGSK-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 63.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.71
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?

The IUPAC name of 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 170249185) is 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

What is the SMILES notation for 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?

The canonical SMILES for 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4oc5ccccc5c4c3)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1.

What is the InChIKey of 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?

The InChIKey is QWRQPOMXEJFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-2-10-27(11-3-1)41-44-42(31-20-22-37-35(24-31)32-13-6-7-15-36(32)47-37)46-43(45-41)34-14-8-16-38-40(34)33-21-19-30(25-39(33)48-38)29-18-17-26-9-4-5-12-28(26)23-29/h1-25,42H,(H,44,45,46).

What are the key properties of 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine?

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 617.71 g/mol, XLogP of 10.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170249185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).