2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine

C57H33N3O2 — CID 170017927

About 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine (PubChem CID 170017927) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
• PubChem CID: 170017927
• Molecular Formula: C57H33N3O2
• Molecular Weight: 791.91 g/mol
• Exact Mass: 791.26
• IUPAC Name: 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
• SMILES: c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccc7oc8ccccc8c7c6c5)nc(-c5cccc6oc7cc(-c8ccc9ccccc9c8)ccc7c56)n4)cc3)ccc2c1
• InChI: InChI=1S/C57H33N3O2/c1-3-10-39-30-41(23-18-34(39)8-1)36-16-21-38(22-17-36)55-58-56(44-25-20-37-27-29-51-54(48(37)32-44)45-12-5-6-14-49(45)61-51)60-57(59-55)47-13-7-15-50-53(47)46-28-26-43(33-52(46)62-50)42-24-19-35-9-2-4-11-40(35)31-42/h1-33H
• InChIKey: NKISVEUHHUQWSM-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.91
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?

The IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine (CID 170017927) is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5ccc6ccc7oc8ccccc8c7c6c5)nc(-c5cccc6oc7cc(-c8ccc9ccccc9c8)ccc7c56)n4)cc3)ccc2c1.

What is the InChIKey of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?

The InChIKey is NKISVEUHHUQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-3-10-39-30-41(23-18-34(39)8-1)36-16-21-38(22-17-36)55-58-56(44-25-20-37-27-29-51-54(48(37)32-44)45-12-5-6-14-49(45)61-51)60-57(59-55)47-13-7-15-50-53(47)46-28-26-43(33-52(46)62-50)42-24-19-35-9-2-4-11-40(35)31-42/h1-33H.

What are the key properties of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine?

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine has a molecular weight of 791.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine is sourced from PubChem (CID 170017927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).