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

C59H35N3OS — CID 164964254

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

2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine (PubChem CID 164964254) has the molecular formula C59H35N3OS and a molecular weight of 834.02 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine
• PubChem CID: 164964254
• Molecular Formula: C59H35N3OS
• Molecular Weight: 834.02 g/mol
• Exact Mass: 833.25
• IUPAC Name: 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3ccc4oc5cc6ccccc6cc5c4c3-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5sc5ccccc56)n4)cc3)c2)cc1
• InChI: InChI=1S/C59H35N3OS/c1-2-12-36(13-3-1)41-18-10-19-44(32-41)46-30-31-51-55(50-34-42-16-6-7-17-43(42)35-52(50)63-51)54(46)38-25-27-39(28-26-38)57-60-58(45-29-24-37-14-4-5-15-40(37)33-45)62-59(61-57)49-22-11-21-48-47-20-8-9-23-53(47)64-56(48)49/h1-35H
• InChIKey: PFPHRMMRRCYJOM-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-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine (CID 164964254) is 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4oc5cc6ccccc6cc5c4c3-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5sc5ccccc56)n4)cc3)c2)cc1.

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

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

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

2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-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-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 164964254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).