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

C41H27N3O — CID 170290246

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

4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170290246) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
• PubChem CID: 170290246
• Molecular Formula: C41H27N3O
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.22
• IUPAC Name: 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cccc4ccccc34)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1
• InChI: InChI=1S/C41H27N3O/c1-2-12-28(13-3-1)39-42-40(33-17-8-15-27-11-6-7-16-32(27)33)44-41(43-39)35-18-9-19-36-38(35)34-23-22-31(25-37(34)45-36)30-21-20-26-10-4-5-14-29(26)24-30/h1-25,40H,(H,42,43,44)
• InChIKey: CKNWHGLIEFJGPF-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 49.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 170290246) is 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

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

The canonical SMILES for 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4ccccc34)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1.

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

The InChIKey is CKNWHGLIEFJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-12-28(13-3-1)39-42-40(33-17-8-15-27-11-6-7-16-32(27)33)44-41(43-39)35-18-9-19-36-38(35)34-23-22-31(25-37(34)45-36)30-21-20-26-10-4-5-14-29(26)24-30/h1-25,40H,(H,42,43,44).

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

4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170290246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).