4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

C41H25N3O — CID 159309562

About 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 159309562) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 159309562
• Molecular Formula: C41H25N3O
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.20
• IUPAC Name: 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5ccccc35)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C41H25N3O/c1-3-14-27(15-4-1)34-25-35(43-41(42-34)28-16-5-2-6-17-28)31-22-12-23-33-38(31)44-39(30-21-11-18-26-13-7-8-19-29(26)30)37-32-20-9-10-24-36(32)45-40(33)37/h1-25H
• InChIKey: NZGCRMXGDRQAEC-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (CID 159309562) is 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?

The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5ccccc35)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?

The InChIKey is NZGCRMXGDRQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-14-27(15-4-1)34-25-35(43-41(42-34)28-16-5-2-6-17-28)31-22-12-23-33-38(31)44-39(30-21-11-18-26-13-7-8-19-29(26)30)37-32-20-9-10-24-36(32)45-40(33)37/h1-25H.

What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?

4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 159309562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).