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

C57H34FN5O — CID 168809444

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

11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809444) has the molecular formula C57H34FN5O and a molecular weight of 823.93 g/mol. Its IUPAC name is 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 168809444
• Molecular Formula: C57H34FN5O
• Molecular Weight: 823.93 g/mol
• Exact Mass: 823.27
• IUPAC Name: 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: Fc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)cc3c2oc2ccccc23)c1
• InChI: InChI=1S/C57H34FN5O/c58-40-22-14-20-38(32-40)47-33-41(34-48-44-25-9-12-28-51(44)64-54(47)48)62-49-26-10-7-23-42(49)45-29-30-46-43-24-8-11-27-50(43)63(53(46)52(45)62)57-60-55(36-17-5-2-6-18-36)59-56(61-57)39-21-13-19-37(31-39)35-15-3-1-4-16-35/h1-34H
• InChIKey: CPMQDEJSSCDWEY-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 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168809444) is 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is Fc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)cc3c2oc2ccccc23)c1.

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

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

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

11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-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 11-[4-(3-fluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).