2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride

C41H27N3O-2 — CID 164955925

About 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride

2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride (PubChem CID 164955925) has the molecular formula C41H27N3O-2 and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
• PubChem CID: 164955925
• Molecular Formula: C41H27N3O-2
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.22
• IUPAC Name: 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
• SMILES: [H-].[H-].c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C41H25N3O.2H/c1-2-9-26(10-3-1)27-17-20-29(21-18-27)39-42-40(31-23-24-33-30(25-31)22-19-28-11-4-5-12-32(28)33)44-41(43-39)35-14-8-16-37-38(35)34-13-6-7-15-36(34)45-37;;/h1-25H;;/q;2*-1
• InChIKey: BDYLGGWQCDPIGN-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	10.97
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-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride?

The IUPAC name of 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride (CID 164955925) is 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride is [H-].[H-].c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

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

The InChIKey is BDYLGGWQCDPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O.2H/c1-2-9-26(10-3-1)27-17-20-29(21-18-27)39-42-40(31-23-24-33-30(25-31)22-19-28-11-4-5-12-32(28)33)44-41(43-39)35-14-8-16-37-38(35)34-13-6-7-15-36(34)45-37;;/h1-25H;;/q;2*-1.

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

2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride has a molecular weight of 577.69 g/mol, XLogP of 10.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride is sourced from PubChem (CID 164955925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).