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

C55H33N3S2 — CID 167349007

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

2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 167349007) has the molecular formula C55H33N3S2 and a molecular weight of 800.02 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 167349007
• Molecular Formula: C55H33N3S2
• Molecular Weight: 800.02 g/mol
• Exact Mass: 799.21
• IUPAC Name: 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)cccc4c3-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C55H33N3S2/c1-3-14-34(15-4-1)35-28-30-37(31-29-35)39-32-33-40-38(36-16-5-2-6-17-36)20-11-21-43(40)50(39)55-57-53(46-24-12-22-44-41-18-7-9-26-48(41)59-51(44)46)56-54(58-55)47-25-13-23-45-42-19-8-10-27-49(42)60-52(45)47/h1-33H
• InChIKey: DORLRCALOYMPTL-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 38.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.02
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (CID 167349007) is 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)cccc4c3-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.

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

The InChIKey is DORLRCALOYMPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3S2/c1-3-14-34(15-4-1)35-28-30-37(31-29-35)39-32-33-40-38(36-16-5-2-6-17-36)20-11-21-43(40)50(39)55-57-53(46-24-12-22-44-41-18-7-9-26-48(41)59-51(44)46)56-54(58-55)47-25-13-23-45-42-19-8-10-27-49(42)60-52(45)47/h1-33H.

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

2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 800.02 g/mol, XLogP of 15.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167349007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).