5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole

C41H28N2O — CID 174333209

About 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole

5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole (PubChem CID 174333209) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
• PubChem CID: 174333209
• Molecular Formula: C41H28N2O
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.22
• IUPAC Name: 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
• SMILES: Cc1nc2cc(-c3ccc4ccccc4c3-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc2o1
• InChI: InChI=1S/C41H28N2O/c1-27-42-39-24-32(20-22-40(39)44-27)36-21-19-28-11-8-9-18-35(28)41(36)33-17-10-16-31(23-33)34-25-37(29-12-4-2-5-13-29)43-38(26-34)30-14-6-3-7-15-30/h2-26H,1H3
• InChIKey: PSMIJHXODINNSI-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole?

The IUPAC name of 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole (CID 174333209) is 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole.

What is the SMILES notation for 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole?

The canonical SMILES for 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3ccc4ccccc4c3-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc2o1.

What is the InChIKey of 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole?

The InChIKey is PSMIJHXODINNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-27-42-39-24-32(20-22-40(39)44-27)36-21-19-28-11-8-9-18-35(28)41(36)33-17-10-16-31(23-33)34-25-37(29-12-4-2-5-13-29)43-38(26-34)30-14-6-3-7-15-30/h2-26H,1H3.

What are the key properties of 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole?

5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 564.69 g/mol, XLogP of 11.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 174333209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).