2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine

C39H25N3O — CID 167007593

About 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine

2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 167007593) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
• PubChem CID: 167007593
• Molecular Formula: C39H25N3O
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.20
• IUPAC Name: 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
• SMILES: C1=Cc2c(oc3cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)c23)CC1
• InChI: InChI=1S/C39H25N3O/c1-2-11-25-22-27(21-20-24(25)10-1)37-40-38(32-17-9-19-35-36(32)31-16-7-8-18-34(31)43-35)42-39(41-37)33-23-26-12-3-4-13-28(26)29-14-5-6-15-30(29)33/h1-7,9-17,19-23H,8,18H2
• InChIKey: GEFVWVWXWRMTFT-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	10.04
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-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine?

The IUPAC name of 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine (CID 167007593) is 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine.

What is the SMILES notation for 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine?

The canonical SMILES for 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccccc56)n4)c23)CC1.

What is the InChIKey of 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine?

The InChIKey is GEFVWVWXWRMTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-2-11-25-22-27(21-20-24(25)10-1)37-40-38(32-17-9-19-35-36(32)31-16-7-8-18-34(31)43-35)42-39(41-37)33-23-26-12-3-4-13-28(26)29-14-5-6-15-30(29)33/h1-7,9-17,19-23H,8,18H2.

What are the key properties of 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine?

2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine has a molecular weight of 551.65 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine is sourced from PubChem (CID 167007593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).