5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C106H68F4N8OS — CID 158845062

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 158845062) has the molecular formula C106H68F4N8OS and a molecular weight of 1577.82 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 158845062
• Molecular Formula: C106H68F4N8OS
• Molecular Weight: 1577.82 g/mol
• Exact Mass: 1576.52
• IUPAC Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(CF)c3)c2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
• InChI: InChI=1S/C53H33F3N4O.C53H35FN4S/c1-32-14-12-19-35(28-32)42-30-37(52-58-50(33-15-4-2-5-16-33)57-51(59-52)34-17-6-3-7-18-34)31-43(36-20-13-21-38(29-36)53(54,55)56)48(42)60-44-24-10-8-23-41(44)47-45(60)27-26-40-39-22-9-11-25-46(39)61-49(40)47;1-33-14-12-20-37(28-33)43-30-39(53-56-51(35-16-4-2-5-17-35)55-52(57-53)36-18-6-3-7-19-36)31-44(38-21-13-15-34(29-38)32-54)49(43)58-45-24-10-8-23-42(45)48-46(58)27-26-41-40-22-9-11-25-47(40)59-50(41)48/h2-31H,1H3;2-31H,32H2,1H3
• InChIKey: IYSIUFQXEDXSKX-UHFFFAOYSA-N
• XLogP: 28.98
• TPSA: 100.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1577.82
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 158845062) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(CF)c3)c2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.

What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is IYSIUFQXEDXSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33F3N4O.C53H35FN4S/c1-32-14-12-19-35(28-32)42-30-37(52-58-50(33-15-4-2-5-16-33)57-51(59-52)34-17-6-3-7-18-34)31-43(36-20-13-21-38(29-36)53(54,55)56)48(42)60-44-24-10-8-23-41(44)47-45(60)27-26-40-39-22-9-11-25-46(39)61-49(40)47;1-33-14-12-20-37(28-33)43-30-39(53-56-51(35-16-4-2-5-17-35)55-52(57-53)36-18-6-3-7-19-36)31-44(38-21-13-15-34(29-38)32-54)49(43)58-45-24-10-8-23-42(45)48-46(58)27-26-41-40-22-9-11-25-47(40)59-50(41)48/h2-31H,1H3;2-31H,32H2,1H3.

What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1577.82 g/mol, XLogP of 28.98, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(fluoromethyl)phenyl]-6-(3-methylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158845062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).