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

C49H31N3 — CID 176587633

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

2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 176587633) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 176587633
• Molecular Formula: C49H31N3
• Molecular Weight: 661.81 g/mol
• Exact Mass: 661.25
• IUPAC Name: 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)n2)c1
• InChI: InChI=1S/C49H31N3/c1-4-13-35-26-39(23-20-32(35)10-1)38-17-9-18-42(29-38)47-50-48(43-25-22-34-12-3-6-15-37(34)28-43)52-49(51-47)44-30-40-16-7-8-19-45(40)46(31-44)41-24-21-33-11-2-5-14-36(33)27-41/h1-31H
• InChIKey: AXWUEABBIKPZPK-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.81
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 176587633) is 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine is c1cc(-c2ccc3ccccc3c2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)n2)c1.

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

The InChIKey is AXWUEABBIKPZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-4-13-35-26-39(23-20-32(35)10-1)38-17-9-18-42(29-38)47-50-48(43-25-22-34-12-3-6-15-37(34)28-43)52-49(51-47)44-30-40-16-7-8-19-45(40)46(31-44)41-24-21-33-11-2-5-14-36(33)27-41/h1-31H.

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

2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 661.81 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176587633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).