2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline

C108H64N8OS2 — CID 159621173

About 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline

2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline (PubChem CID 159621173) has the molecular formula C108H64N8OS2 and a molecular weight of 1553.89 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 159621173
• Molecular Formula: C108H64N8OS2
• Molecular Weight: 1553.89 g/mol
• Exact Mass: 1552.46
• IUPAC Name: 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc(-c6ccc(-c7cccc8oc9ccccc9c78)cc6)cc5c5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c5c4sc4ccccc45)cc3)n2)cc1
• InChI: InChI=1S/C54H32N4OS.C54H32N4S/c1-3-12-36(13-4-1)52-56-53(37-14-5-2-6-15-37)58-54(57-52)38-28-26-35(27-29-38)50-51-49(42-17-8-10-21-47(42)60-51)43-32-39(30-31-44(43)55-50)33-22-24-34(25-23-33)40-18-11-20-46-48(40)41-16-7-9-19-45(41)59-46;1-3-13-34(14-4-1)52-56-53(35-15-5-2-6-16-35)58-54(57-52)36-25-23-33(24-26-36)50-51-49(44-21-11-12-22-48(44)59-51)46-32-38(28-30-47(46)55-50)37-27-29-43-41-19-8-7-17-39(41)40-18-9-10-20-42(40)45(43)31-37/h1-32H;1-32H
• InChIKey: MNXFSMKJWYEJEV-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 116.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.89
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline?

The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline (CID 159621173) is 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline.

What is the SMILES notation for 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline?

The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc(-c6ccc(-c7cccc8oc9ccccc9c78)cc6)cc5c5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c5c4sc4ccccc45)cc3)n2)cc1.

What is the InChIKey of 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline?

The InChIKey is MNXFSMKJWYEJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4OS.C54H32N4S/c1-3-12-36(13-4-1)52-56-53(37-14-5-2-6-15-37)58-54(57-52)38-28-26-35(27-29-38)50-51-49(42-17-8-10-21-47(42)60-51)43-32-39(30-31-44(43)55-50)33-22-24-34(25-23-33)40-18-11-20-46-48(40)41-16-7-9-19-45(41)59-46;1-3-13-34(14-4-1)52-56-53(35-15-5-2-6-16-35)58-54(57-52)36-25-23-33(24-26-36)50-51-49(44-21-11-12-22-48(44)59-51)46-32-38(28-30-47(46)55-50)37-27-29-43-41-19-8-7-17-39(41)40-18-9-10-20-42(40)45(43)31-37/h1-32H;1-32H.

What are the key properties of 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline?

2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1553.89 g/mol, XLogP of 29.27, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 159621173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).