5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole

C43H27N3O — CID 174333362

About 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole

5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole (PubChem CID 174333362) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole
• PubChem CID: 174333362
• Molecular Formula: C43H27N3O
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.22
• IUPAC Name: 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-c3ccccc3-c3ccc4ccccc4c3-c3ccc4oc(-c5ccccn5)nc4c3)nc3ccccc23)cc1
• InChI: InChI=1S/C43H27N3O/c1-2-12-28(13-3-1)36-27-39(45-37-19-9-8-18-34(36)37)33-17-7-6-16-32(33)35-23-21-29-14-4-5-15-31(29)42(35)30-22-24-41-40(26-30)46-43(47-41)38-20-10-11-25-44-38/h1-27H
• InChIKey: RKJPINYRANAKQC-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole?

The IUPAC name of 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole (CID 174333362) is 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole.

What is the SMILES notation for 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole?

The canonical SMILES for 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3-c3ccc4ccccc4c3-c3ccc4oc(-c5ccccn5)nc4c3)nc3ccccc23)cc1.

What is the InChIKey of 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole?

The InChIKey is RKJPINYRANAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-12-28(13-3-1)36-27-39(45-37-19-9-8-18-34(36)37)33-17-7-6-16-32(33)35-23-21-29-14-4-5-15-31(29)42(35)30-22-24-41-40(26-30)46-43(47-41)38-20-10-11-25-44-38/h1-27H.

What are the key properties of 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole?

5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(4-phenylquinolin-2-yl)phenyl]naphthalen-1-yl]-2-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 174333362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).