2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine

C56H35N3S — CID 162487301

About 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine (PubChem CID 162487301) has the molecular formula C56H35N3S and a molecular weight of 781.98 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
• PubChem CID: 162487301
• Molecular Formula: C56H35N3S
• Molecular Weight: 781.98 g/mol
• Exact Mass: 781.26
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C56H35N3S/c1-3-15-37(16-4-1)53-57-54(59-55(58-53)42-27-26-36-14-7-8-17-38(36)32-42)41-19-13-18-39(33-41)40-28-30-47-48-31-29-44(35-52(48)60-51(47)34-40)56(43-20-5-2-6-21-43)49-24-11-9-22-45(49)46-23-10-12-25-50(46)56/h1-35H
• InChIKey: OYMQHXWIMWSXEQ-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 38.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.98
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine (CID 162487301) is 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The InChIKey is OYMQHXWIMWSXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3S/c1-3-15-37(16-4-1)53-57-54(59-55(58-53)42-27-26-36-14-7-8-17-38(36)32-42)41-19-13-18-39(33-41)40-28-30-47-48-31-29-44(35-52(48)60-51(47)34-40)56(43-20-5-2-6-21-43)49-24-11-9-22-45(49)46-23-10-12-25-50(46)56/h1-35H.

What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine has a molecular weight of 781.98 g/mol, XLogP of 14.42, 6 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-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 162487301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).