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

C41H25N3O2 — CID 167008000

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

2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine (PubChem CID 167008000) has the molecular formula C41H25N3O2 and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
• PubChem CID: 167008000
• Molecular Formula: C41H25N3O2
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.19
• IUPAC Name: 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
• SMILES: C1=Cc2c(oc3cccc(-c4nc(-c5ccc6ccc7ccccc7c6c5)nc(-c5cccc6oc7ccccc7c56)n4)c23)CC1
• InChI: InChI=1S/C41H25N3O2/c1-2-10-27-24(9-1)19-20-25-21-22-26(23-32(25)27)39-42-40(30-13-7-17-35-37(30)28-11-3-5-15-33(28)45-35)44-41(43-39)31-14-8-18-36-38(31)29-12-4-6-16-34(29)46-36/h1-5,7-15,17-23H,6,16H2
• InChIKey: GZYPERAUCWMRCF-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	10.78
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-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine (CID 167008000) is 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4nc(-c5ccc6ccc7ccccc7c6c5)nc(-c5cccc6oc7ccccc7c56)n4)c23)CC1.

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

The InChIKey is GZYPERAUCWMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O2/c1-2-10-27-24(9-1)19-20-25-21-22-26(23-32(25)27)39-42-40(30-13-7-17-35-37(30)28-11-3-5-15-33(28)45-35)44-41(43-39)31-14-8-18-36-38(31)29-12-4-6-16-34(29)46-36/h1-5,7-15,17-23H,6,16H2.

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

2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine has a molecular weight of 591.67 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine is sourced from PubChem (CID 167008000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).