2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

C55H35N3 — CID 177076693

About 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076693) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 177076693
• Molecular Formula: C55H35N3
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.28
• IUPAC Name: 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3c(-c4nc(-c5cccc(-c6ccc7ccccc7c6)c5)nc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)n4)cccc3c2)cc1
• InChI: InChI=1S/C55H35N3/c1-2-10-36(11-3-1)42-28-29-51-48(33-42)17-9-19-52(51)55-57-53(49-18-8-16-41(34-49)43-22-20-37-12-4-6-14-39(37)30-43)56-54(58-55)50-27-26-46-32-45(24-25-47(46)35-50)44-23-21-38-13-5-7-15-40(38)31-44/h1-35H
• InChIKey: HQXPYEHYJSXFOL-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.91
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076693) is 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(-c4nc(-c5cccc(-c6ccc7ccccc7c6)c5)nc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)n4)cccc3c2)cc1.

What is the InChIKey of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

The InChIKey is HQXPYEHYJSXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-10-36(11-3-1)42-28-29-51-48(33-42)17-9-19-52(51)55-57-53(49-18-8-16-41(34-49)43-22-20-37-12-4-6-14-39(37)30-43)56-54(58-55)50-27-26-46-32-45(24-25-47(46)35-50)44-23-21-38-13-5-7-15-40(38)31-44/h1-35H.

What are the key properties of 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).