4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine

C55H40N4 — CID 130392242

About 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine

4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine (PubChem CID 130392242) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
• PubChem CID: 130392242
• Molecular Formula: C55H40N4
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.33
• IUPAC Name: 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
• SMILES: CC(C)(c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1)c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C55H40N4/c1-55(2,43-31-27-39(28-32-43)49-35-51(58-53(56-49)41-17-5-3-6-18-41)47-25-13-21-37-15-9-11-23-45(37)47)44-33-29-40(30-34-44)50-36-52(59-54(57-50)42-19-7-4-8-20-42)48-26-14-22-38-16-10-12-24-46(38)48/h3-36H,1-2H3
• InChIKey: GYVAQZRBDUYLEW-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine?

The IUPAC name of 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine (CID 130392242) is 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine.

What is the SMILES notation for 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine?

The canonical SMILES for 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine is CC(C)(c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1)c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine?

The InChIKey is GYVAQZRBDUYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-55(2,43-31-27-39(28-32-43)49-35-51(58-53(56-49)41-17-5-3-6-18-41)47-25-13-21-37-15-9-11-23-45(37)47)44-33-29-40(30-34-44)50-36-52(59-54(57-50)42-19-7-4-8-20-42)48-26-14-22-38-16-10-12-24-46(38)48/h3-36H,1-2H3.

What are the key properties of 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine?

4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine has a molecular weight of 756.95 g/mol, XLogP of 13.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 130392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).