2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C53H33N3O2 — CID 170128415

About 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170128415) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 170128415
• Molecular Formula: C53H33N3O2
• Molecular Weight: 743.87 g/mol
• Exact Mass: 743.26
• IUPAC Name: 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(C4=C(c5cccc6oc7cc8ccccc8cc7c56)CCc5oc6ccccc6c54)nc(-c4ccc5ccccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C53H33N3O2/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)51-54-52(39-26-23-33-13-4-5-14-36(33)29-39)56-53(55-51)50-41(27-28-46-49(50)42-17-8-9-19-44(42)57-46)40-18-10-20-45-48(40)43-30-37-15-6-7-16-38(37)31-47(43)58-45/h1-26,29-31H,27-28H2
• InChIKey: RTLHECSLXWEMDN-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.87
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 170128415) is 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(C4=C(c5cccc6oc7cc8ccccc8cc7c56)CCc5oc6ccccc6c54)nc(-c4ccc5ccccc5c4)n3)cc2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is RTLHECSLXWEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)51-54-52(39-26-23-33-13-4-5-14-36(33)29-39)56-53(55-51)50-41(27-28-46-49(50)42-17-8-9-19-44(42)57-46)40-18-10-20-45-48(40)43-30-37-15-6-7-16-38(37)31-47(43)58-45/h1-26,29-31H,27-28H2.

What are the key properties of 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-(2-naphtho[2,3-b][1]benzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170128415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).