1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran

C32H20O — CID 176786272

About 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran

1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 176786272) has the molecular formula C32H20O and a molecular weight of 432.58 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
• PubChem CID: 176786272
• Molecular Formula: C32H20O
• Molecular Weight: 432.58 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c2c(oc3c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccccc5)c5c([2H])c([2H])c([2H])c([2H])c45)cccc32)c1[2H]
• InChI: InChI=1S/C32H20O/c1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-20H/i4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,20D
• InChIKey: RXWRDNBNOXXYQX-BYHXGHOSSA-N
• XLogP: 9.23
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.58
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran?

The IUPAC name of 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran (CID 176786272) is 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran is [2H]c1c([2H])c([2H])c2c(oc3c(-c4c5c([2H])c([2H])c([2H])c([2H])c5c(-c5ccccc5)c5c([2H])c([2H])c([2H])c([2H])c45)cccc32)c1[2H].

What is the InChIKey of 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran?

The InChIKey is RXWRDNBNOXXYQX-BYHXGHOSSA-N. The full InChI is InChI=1S/C32H20O/c1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-20H/i4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,20D.

What are the key properties of 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran?

1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 432.58 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 176786272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).