12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole

C57H34FN5O — CID 168809394

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809394) has the molecular formula C57H34FN5O and a molecular weight of 823.93 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 168809394
• Molecular Formula: C57H34FN5O
• Molecular Weight: 823.93 g/mol
• Exact Mass: 823.27
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole
• SMILES: Fc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c54)cc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C57H34FN5O/c58-40-29-27-36(28-30-40)35-23-25-37(26-24-35)47-33-41(34-48-44-19-9-12-22-51(44)64-54(47)48)62-49-20-10-7-17-42(49)45-31-32-46-43-18-8-11-21-50(43)63(53(46)52(45)62)57-60-55(38-13-3-1-4-14-38)59-56(61-57)39-15-5-2-6-16-39/h1-34H
• InChIKey: XMDNAERRJPAUMA-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.93
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole (CID 168809394) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole is Fc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c54)cc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole?

The InChIKey is XMDNAERRJPAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34FN5O/c58-40-29-27-36(28-30-40)35-23-25-37(26-24-35)47-33-41(34-48-44-19-9-12-22-51(44)64-54(47)48)62-49-20-10-7-17-42(49)45-31-32-46-43-18-8-11-21-50(43)63(53(46)52(45)62)57-60-55(38-13-3-1-4-14-38)59-56(61-57)39-15-5-2-6-16-39/h1-34H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole has a molecular weight of 823.93 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).