2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

C57H35N3O — CID 139442183

About 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 139442183) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 139442183
• Molecular Formula: C57H35N3O
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.28
• IUPAC Name: 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C57H35N3O/c1-2-16-36(17-3-1)41-21-6-11-27-49(41)56-58-55(59-57(60-56)50-30-15-29-48-42-22-12-13-31-51(42)61-54(48)50)39-34-32-38(33-35-39)52-44-23-7-9-25-46(44)53(47-26-10-8-24-45(47)52)43-28-14-19-37-18-4-5-20-40(37)43/h1-35H
• InChIKey: GDKGJISCJQDNHJ-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (CID 139442183) is 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?

The InChIKey is GDKGJISCJQDNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-2-16-36(17-3-1)41-21-6-11-27-49(41)56-58-55(59-57(60-56)50-30-15-29-48-42-22-12-13-31-51(42)61-54(48)50)39-34-32-38(33-35-39)52-44-23-7-9-25-46(44)53(47-26-10-8-24-45(47)52)43-28-14-19-37-18-4-5-20-40(37)43/h1-35H.

What are the key properties of 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139442183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).