2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

C55H35N3 — CID 177076754

About 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177076754) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 177076754
• Molecular Formula: C55H35N3
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.28
• IUPAC Name: 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)n4)cccc3c2)cc1
• InChI: InChI=1S/C55H35N3/c1-2-10-36(11-3-1)43-30-31-51-46(33-43)16-9-19-52(51)55-57-53(41-25-23-40(24-26-41)50-18-8-15-39-13-6-7-17-49(39)50)56-54(58-55)47-29-22-38-21-28-45(34-48(38)35-47)44-27-20-37-12-4-5-14-42(37)32-44/h1-35H
• InChIKey: ZOBFSEMDCAORKB-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-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177076754) is 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)n4)cccc3c2)cc1.

What is the InChIKey of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

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

What are the key properties of 2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?

2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-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-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177076754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).