2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine

C49H29N3O — CID 169278592

About 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine (PubChem CID 169278592) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
• PubChem CID: 169278592
• Molecular Formula: C49H29N3O
• Molecular Weight: 675.79 g/mol
• Exact Mass: 675.23
• IUPAC Name: 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3c(ccc4cc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7ccc8ccccc8c67)n5)ccc43)c2)cc1
• InChI: InChI=1S/C49H29N3O/c1-2-10-30(11-3-1)33-24-26-37-34(28-33)22-23-35-29-36(25-27-38(35)37)47-50-48(42-17-8-13-32-21-20-31-12-4-5-14-39(31)45(32)42)52-49(51-47)43-18-9-16-41-40-15-6-7-19-44(40)53-46(41)43/h1-29H
• InChIKey: MEUUTOWZFHKJLE-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.79
LogP ≤ 5	13.05
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-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine (CID 169278592) is 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(ccc4cc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7ccc8ccccc8c67)n5)ccc43)c2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?

The InChIKey is MEUUTOWZFHKJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-10-30(11-3-1)33-24-26-37-34(28-33)22-23-35-29-36(25-27-38(35)37)47-50-48(42-17-8-13-32-21-20-31-12-4-5-14-39(31)45(32)42)52-49(51-47)43-18-9-16-41-40-15-6-7-19-44(40)53-46(41)43/h1-29H.

What are the key properties of 2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine has a molecular weight of 675.79 g/mol, XLogP of 13.05, 4 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-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 169278592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).