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

C47H29N3O — CID 159893353

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

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 159893353) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 159893353
• Molecular Formula: C47H29N3O
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.23
• IUPAC Name: 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4cccc6ccccc46)c4c6ccccc6oc54)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C47H29N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)33-27-25-31(26-28-33)36-21-12-23-39-44(36)50-45(37-22-11-18-30-13-7-8-19-35(30)37)43-38-20-9-10-24-42(38)51-46(39)43/h1-29H
• InChIKey: BOIAYWKQKCMWJQ-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (CID 159893353) is 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

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

The canonical SMILES for 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4cccc6ccccc46)c4c6ccccc6oc54)cc3)nc(-c3ccccc3)n2)cc1.

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

The InChIKey is BOIAYWKQKCMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)33-27-25-31(26-28-33)36-21-12-23-39-44(36)50-45(37-22-11-18-30-13-7-8-19-35(30)37)43-38-20-9-10-24-42(38)51-46(39)43/h1-29H.

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

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 159893353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).