9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole

C57H36N4O — CID 148610640

About 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole

9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole (PubChem CID 148610640) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
• PubChem CID: 148610640
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c56)c4)n3)c2)cc1
• InChI: InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)39-20-12-22-42(34-39)56-58-55(38-18-6-2-7-19-38)59-57(60-56)43-23-13-21-40(35-43)46-28-14-29-48-53-45(27-15-31-52(53)62-54(46)48)41-32-33-51-49(36-41)47-26-10-11-30-50(47)61(51)44-24-8-3-9-25-44/h1-36H
• InChIKey: NEHNGZWGFMBXQO-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?

The IUPAC name of 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole (CID 148610640) is 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c56)c4)n3)c2)cc1.

What is the InChIKey of 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?

The InChIKey is NEHNGZWGFMBXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)39-20-12-22-42(34-39)56-58-55(38-18-6-2-7-19-38)59-57(60-56)43-23-13-21-40(35-43)46-28-14-29-48-53-45(27-15-31-52(53)62-54(46)48)41-32-33-51-49(36-41)47-26-10-11-30-50(47)61(51)44-24-8-3-9-25-44/h1-36H.

What are the key properties of 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole?

9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 148610640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).