2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

C51H29N3O2 — CID 159761626

About 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 159761626) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 159761626
• Molecular Formula: C51H29N3O2
• Molecular Weight: 715.81 g/mol
• Exact Mass: 715.23
• IUPAC Name: 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3c(-c4ccc5c(c4)oc4ccccc45)ccc4oc5cc6ccccc6cc5c34)n2)cc1
• InChI: InChI=1S/C51H29N3O2/c1-2-11-32(12-3-1)49-52-50(36-21-20-31-19-18-30-10-6-7-15-37(30)41(31)27-36)54-51(53-49)48-38(35-22-23-40-39-16-8-9-17-43(39)55-45(40)29-35)24-25-44-47(48)42-26-33-13-4-5-14-34(33)28-46(42)56-44/h1-29H
• InChIKey: NEYROANNZXXEJO-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.81
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (CID 159761626) is 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3c(-c4ccc5c(c4)oc4ccccc45)ccc4oc5cc6ccccc6cc5c34)n2)cc1.

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

The InChIKey is NEYROANNZXXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-11-32(12-3-1)49-52-50(36-21-20-31-19-18-30-10-6-7-15-37(30)41(31)27-36)54-51(53-49)48-38(35-22-23-40-39-16-8-9-17-43(39)55-45(40)29-35)24-25-44-47(48)42-26-33-13-4-5-14-34(33)28-46(42)56-44/h1-29H.

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

2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 159761626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).