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

C108H64N8O2S2 — CID 160897617

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

6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline (PubChem CID 160897617) has the molecular formula C108H64N8O2S2 and a molecular weight of 1569.89 g/mol. Its IUPAC name is 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 160897617
• Molecular Formula: C108H64N8O2S2
• Molecular Weight: 1569.89 g/mol
• Exact Mass: 1568.46
• IUPAC Name: 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
• SMILES: c1ccc(-c2ccc3nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n5)cc4)c4sc5ccccc5c4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5)c5sc6ccccc6c5c4c3)c2)cc1
• InChI: InChI=1S/2C54H32N4OS/c1-3-13-33(14-4-1)35-17-11-18-36(29-35)37-25-27-45-44(31-37)49-42-22-8-10-24-48(42)60-51(49)50(55-45)38-19-12-20-39(30-38)53-56-52(34-15-5-2-6-16-34)57-54(58-53)40-26-28-47-43(32-40)41-21-7-9-23-46(41)59-47;1-3-12-33(13-4-1)39-30-31-45-44(32-39)48-43-17-8-10-21-47(43)60-51(48)49(55-45)35-24-28-38(29-25-35)54-57-52(36-14-5-2-6-15-36)56-53(58-54)37-26-22-34(23-27-37)40-18-11-19-42-41-16-7-9-20-46(41)59-50(40)42/h2*1-32H
• InChIKey: SPBSQVWBJQNJMS-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 129.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.89
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline (CID 160897617) is 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline.

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

The canonical SMILES for 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2ccc3nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)n5)cc4)c4sc5ccccc5c4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5)c5sc6ccccc6c5c4c3)c2)cc1.

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

The InChIKey is SPBSQVWBJQNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32N4OS/c1-3-13-33(14-4-1)35-17-11-18-36(29-35)37-25-27-45-44(31-37)49-42-22-8-10-24-48(42)60-51(49)50(55-45)38-19-12-20-39(30-38)53-56-52(34-15-5-2-6-16-34)57-54(58-53)40-26-28-47-43(32-40)41-21-7-9-23-46(41)59-47;1-3-12-33(13-4-1)39-30-31-45-44(32-39)48-43-17-8-10-21-47(43)60-51(48)49(55-45)35-24-28-38(29-25-35)54-57-52(36-14-5-2-6-15-36)56-53(58-54)37-26-22-34(23-27-37)40-18-11-19-42-41-16-7-9-20-46(41)59-50(40)42/h2*1-32H.

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

6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1569.89 g/mol, XLogP of 29.38, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 160897617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).