2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C59H35N3OS — CID 168730357

About 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 168730357) has the molecular formula C59H35N3OS and a molecular weight of 834.02 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 168730357
• Molecular Formula: C59H35N3OS
• Molecular Weight: 834.02 g/mol
• Exact Mass: 833.25
• IUPAC Name: 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)cccc5c4)n3)cc2)cc1
• InChI: InChI=1S/C59H35N3OS/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)57-60-58(45-16-8-14-39(30-45)42-24-28-50-49-17-6-7-19-55(49)64-56(50)35-42)62-59(61-57)46-25-27-48-43(31-46)15-9-18-47(48)44-26-29-53-51(33-44)52-32-40-12-4-5-13-41(40)34-54(52)63-53/h1-35H
• InChIKey: HKWGZAVSEFLWMQ-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 51.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.02
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 168730357) is 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)nc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)cccc5c4)n3)cc2)cc1.

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

The InChIKey is HKWGZAVSEFLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3OS/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)57-60-58(45-16-8-14-39(30-45)42-24-28-50-49-17-6-7-19-55(49)64-56(50)35-42)62-59(61-57)46-25-27-48-43(31-46)15-9-18-47(48)44-26-29-53-51(33-44)52-32-40-12-4-5-13-41(40)34-54(52)63-53/h1-35H.

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

2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 834.02 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168730357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).