4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine

C47H31N3 — CID 146382700

About 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine

4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine (PubChem CID 146382700) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
• PubChem CID: 146382700
• Molecular Formula: C47H31N3
• Molecular Weight: 637.79 g/mol
• Exact Mass: 637.25
• IUPAC Name: 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6cccnc6)c6ccccc6c5)c4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C47H31N3/c1-2-10-32(11-3-1)34-19-22-35(23-20-34)47-49-45(30-46(50-47)40-24-21-33-12-4-5-13-36(33)26-40)39-16-8-15-37(27-39)42-28-38-14-6-7-18-43(38)44(29-42)41-17-9-25-48-31-41/h1-31H
• InChIKey: HOIWOHFJUGYWDP-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.79
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?

The IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine (CID 146382700) is 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine.

What is the SMILES notation for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?

The canonical SMILES for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc(-c6cccnc6)c6ccccc6c5)c4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1.

What is the InChIKey of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?

The InChIKey is HOIWOHFJUGYWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-2-10-32(11-3-1)34-19-22-35(23-20-34)47-49-45(30-46(50-47)40-24-21-33-12-4-5-13-36(33)26-40)39-16-8-15-37(27-39)42-28-38-14-6-7-18-43(38)44(29-42)41-17-9-25-48-31-41/h1-31H.

What are the key properties of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine?

4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 146382700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).