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

C51H31N3O — CID 166743611

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

2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 166743611) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• PubChem CID: 166743611
• Molecular Formula: C51H31N3O
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.25
• IUPAC Name: 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5oc6c(-c7ccc8ccccc8c7)cccc6c45)n3)ccc2c1
• InChI: InChI=1S/C51H31N3O/c1-3-13-37-30-39(28-22-32(37)10-1)43-18-8-19-44-47-45(20-9-21-46(47)55-48(43)44)51-53-49(52-50(54-51)40-29-23-33-11-2-4-14-38(33)31-40)36-26-24-35(25-27-36)42-17-7-15-34-12-5-6-16-41(34)42/h1-31H
• InChIKey: FEFYBMZROMQOOQ-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 166743611) is 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5oc6c(-c7ccc8ccccc8c7)cccc6c45)n3)ccc2c1.

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

The InChIKey is FEFYBMZROMQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-13-37-30-39(28-22-32(37)10-1)43-18-8-19-44-47-45(20-9-21-46(47)55-48(43)44)51-53-49(52-50(54-51)40-29-23-33-11-2-4-14-38(33)31-40)36-26-24-35(25-27-36)42-17-7-15-34-12-5-6-16-41(34)42/h1-31H.

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

2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166743611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).