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

C47H32N2O — CID 174334084

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

5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole (PubChem CID 174334084) has the molecular formula C47H32N2O and a molecular weight of 640.79 g/mol. Its IUPAC name is 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
• PubChem CID: 174334084
• Molecular Formula: C47H32N2O
• Molecular Weight: 640.79 g/mol
• Exact Mass: 640.25
• IUPAC Name: 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
• SMILES: Cc1nc2cc(-c3cccc(-c4c(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)ccc5ccccc45)c3)ccc2o1
• InChI: InChI=1S/C47H32N2O/c1-31-48-45-28-37(23-25-46(45)50-31)35-17-11-20-39(27-35)47-41-21-9-8-12-32(41)22-24-42(47)38-19-10-18-36(26-38)40-29-43(33-13-4-2-5-14-33)49-44(30-40)34-15-6-3-7-16-34/h2-30H,1H3
• InChIKey: ZOEJMJRMOJRTGM-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.79
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole (CID 174334084) is 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole.

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

The canonical SMILES for 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3cccc(-c4c(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)ccc5ccccc45)c3)ccc2o1.

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

The InChIKey is ZOEJMJRMOJRTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O/c1-31-48-45-28-37(23-25-46(45)50-31)35-17-11-20-39(27-35)47-41-21-9-8-12-32(41)22-24-42(47)38-19-10-18-36(26-38)40-29-43(33-13-4-2-5-14-33)49-44(30-40)34-15-6-3-7-16-34/h2-30H,1H3.

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

5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole has a molecular weight of 640.79 g/mol, XLogP of 12.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 174334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).