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

C47H29N3O — CID 164797435

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

2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 164797435) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
• PubChem CID: 164797435
• Molecular Formula: C47H29N3O
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.23
• IUPAC Name: 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc8c(ccc9ccccc98)c7)n6)ccc5c34)c2)cc1
• InChI: InChI=1S/C47H29N3O/c1-3-11-30(12-4-1)33-16-9-17-34(27-33)40-19-10-20-42-44(40)41-26-24-37(29-43(41)51-42)47-49-45(32-14-5-2-6-15-32)48-46(50-47)36-23-25-39-35(28-36)22-21-31-13-7-8-18-38(31)39/h1-29H
• InChIKey: WNXYEYVHXURATD-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 164797435) is 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc8c(ccc9ccccc98)c7)n6)ccc5c34)c2)cc1.

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

The InChIKey is WNXYEYVHXURATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-11-30(12-4-1)33-16-9-17-34(27-33)40-19-10-20-42-44(40)41-26-24-37(29-43(41)51-42)47-49-45(32-14-5-2-6-15-32)48-46(50-47)36-23-25-39-35(28-36)22-21-31-13-7-8-18-38(31)39/h1-29H.

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

2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 164797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).